 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer07_M11-def2SVPDr.in
 Output=26_junionone_conformer07_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/26_junionone/Gau-259179.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/26_junionone/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    259188.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=26_junionone_conformer07_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:47:34 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer07_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.753212000000      0.261201000000      1.693960000000
  C                                                -1.991275000000      0.379275000000      0.192703000000
  C                                                -0.849009000000     -0.284062000000     -0.673672000000
  C                                                 0.523957000000     -0.362760000000     -0.129190000000
  C                                                 1.600074000000      0.202273000000     -0.683932000000
  C                                                 2.971335000000      0.145334000000     -0.139740000000
  O                                                 3.879212000000      0.705568000000     -0.725256000000
  C                                                -2.328795000000      1.809261000000     -0.188051000000
  C                                                -2.945679000000     -0.733150000000     -0.326549000000
  C                                                -1.715204000000     -1.570236000000     -0.737989000000
  C                                                 3.228267000000     -0.612295000000      1.146957000000
  H                                                -3.520012000000     -0.399442000000     -1.191692000000
  H                                                -3.631250000000     -1.169043000000      0.400509000000
  H                                                -0.830366000000      0.203561000000     -1.650261000000
  H                                                -1.427501000000     -2.287210000000      0.031723000000
  H                                                -1.746461000000     -2.086631000000     -1.696096000000
  H                                                -1.522157000000     -0.762423000000      1.994493000000
  H                                                -2.649402000000      0.568790000000      2.237355000000
  H                                                -0.929068000000      0.901723000000      2.015625000000
  H                                                -2.519952000000      1.897738000000     -1.259237000000
  H                                                -1.507307000000      2.484467000000      0.065367000000
  H                                                -3.220245000000      2.153813000000      0.342854000000
  H                                                 0.639748000000     -0.919587000000      0.795696000000
  H                                                 1.514703000000      0.761846000000     -1.609834000000
  H                                                 2.945548000000     -1.661881000000      1.042967000000
  H                                                 2.641207000000     -0.194560000000      1.967518000000
  H                                                 4.286065000000     -0.544744000000      1.388076000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sun Sep 26 19:47:34 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.753212    0.261201    1.693960
      2          6           0       -1.991275    0.379275    0.192703
      3          6           0       -0.849009   -0.284062   -0.673672
      4          6           0        0.523957   -0.362760   -0.129190
      5          6           0        1.600074    0.202273   -0.683932
      6          6           0        2.971335    0.145334   -0.139740
      7          8           0        3.879212    0.705568   -0.725256
      8          6           0       -2.328795    1.809261   -0.188051
      9          6           0       -2.945679   -0.733150   -0.326549
     10          6           0       -1.715204   -1.570236   -0.737989
     11          6           0        3.228267   -0.612295    1.146957
     12          1           0       -3.520012   -0.399442   -1.191692
     13          1           0       -3.631250   -1.169043    0.400509
     14          1           0       -0.830366    0.203561   -1.650261
     15          1           0       -1.427501   -2.287210    0.031723
     16          1           0       -1.746461   -2.086631   -1.696096
     17          1           0       -1.522157   -0.762423    1.994493
     18          1           0       -2.649402    0.568790    2.237355
     19          1           0       -0.929068    0.901723    2.015625
     20          1           0       -2.519952    1.897738   -1.259237
     21          1           0       -1.507307    2.484467    0.065367
     22          1           0       -3.220245    2.153813    0.342854
     23          1           0        0.639748   -0.919587    0.795696
     24          1           0        1.514703    0.761846   -1.609834
     25          1           0        2.945548   -1.661881    1.042967
     26          1           0        2.641207   -0.194560    1.967518
     27          1           0        4.286065   -0.544744    1.388076
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524594   0.000000
     3  C    2.592407   1.579681   0.000000
     4  C    2.983069   2.642087   1.479084   0.000000
     5  C    4.111249   3.701028   2.496925   1.336050   0.000000
     6  C    5.069243   4.979231   3.881300   2.499586   1.476396
     7  O    6.146077   5.950776   4.830953   3.571324   2.334413
     8  C    2.503947   1.517812   2.609137   3.585991   4.273678
     9  C    2.548170   1.554992   2.172142   3.494927   4.654741
    10  C    3.044665   2.177842   1.551990   2.615813   3.759758
    11  C    5.086978   5.397910   4.477344   3.000685   2.581993
    12  H    3.447466   2.204538   2.723218   4.181380   5.180267
    13  H    2.691773   2.264948   3.110936   4.265726   5.515729
    14  H    3.469695   2.185201   1.091719   2.113899   2.615498
    15  H    3.059987   2.730183   2.201099   2.745467   3.984457
    16  H    4.123693   3.115797   2.258324   3.252956   4.178858
    17  H    1.091564   2.184031   2.793038   2.975961   4.225272
    18  H    1.092266   2.156304   3.527442   4.066759   5.169748
    19  H    1.092223   2.173541   2.940206   2.882782   3.764757
    20  H    3.462299   2.166416   2.809838   3.956291   4.492237
    21  H    2.766893   2.163856   2.940117   3.502940   3.927553
    22  H    2.749482   2.163769   3.549552   4.535969   5.300780
    23  H    2.815563   2.995484   2.186168   1.085761   2.090477
    24  H    4.673860   3.960730   2.749083   2.106804   1.085221
    25  H    5.118631   5.409389   4.386787   2.987603   2.875335
    26  H    4.426451   4.993911   4.377842   2.984497   2.876043
    27  H    6.100490   6.456603   5.539652   4.060624   3.473586
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216935   0.000000
     8  C    5.555391   6.328197   0.000000
     9  C    5.984788   6.986273   2.619844   0.000000
    10  C    5.026403   6.039614   3.478495   1.544042   0.000000
    11  C    1.515125   2.380268   6.207022   6.348499   5.376670
    12  H    6.598558   7.495807   2.702714   1.090730   2.198622
    13  H    6.753783   7.822311   3.303496   1.090240   2.264590
    14  H    4.091209   4.825740   2.638488   2.665369   2.182094
    15  H    5.029555   6.139295   4.200203   2.201891   1.090542
    16  H    5.446238   6.355085   4.217972   2.268412   1.088857
    17  H    5.056723   6.223088   3.468101   2.722959   2.855921
    18  H    6.117400   7.170675   2.743019   2.890749   3.781644
    19  H    4.520052   5.538092   2.763883   3.496471   3.782986
    20  H    5.871833   6.531134   1.091700   2.823601   3.598078
    21  H    5.056861   5.727491   1.093145   3.546205   4.138746
    22  H    6.527063   7.323972   1.093279   2.976246   4.159557
    23  H    2.728625   3.930464   4.150496   3.761579   2.884672
    24  H    2.159407   2.525183   4.229778   4.876150   4.078115
    25  H    2.159974   3.098896   6.432956   6.119205   4.990272
    26  H    2.159872   3.097405   5.776045   6.063507   5.309479
    27  H    2.130480   2.488972   7.195963   7.434619   6.448800
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.145198   0.000000
    13  H    6.922436   1.771938   0.000000
    14  H    4.996254   2.794297   3.732914   0.000000
    15  H    5.072008   3.072298   2.498562   3.064242   0.000000
    16  H    5.916463   2.499303   2.964819   2.467045   1.768425
    17  H    4.827772   3.778221   2.674771   3.833527   2.487248
    18  H    6.093515   3.667942   2.712580   4.307649   3.809802
    19  H    4.508910   4.323529   3.768084   3.733081   3.788614
    20  H    6.718040   2.506336   3.659902   2.424425   4.513736
    21  H    5.760680   3.734717   4.239291   2.933285   4.772463
    22  H    7.062665   2.993961   3.348675   3.672535   4.799314
    23  H    2.630255   4.639382   4.296490   3.066823   2.593755
    24  H    3.524835   5.183801   5.852405   2.410947   4.544009
    25  H    1.091959   6.956358   6.626456   4.999088   4.531800
    26  H    1.091999   6.926991   6.538261   5.029776   4.967985
    27  H    1.087032   8.222600   8.003057   5.997443   6.125416
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.927377   0.000000
    18  H    4.831004   1.761190   0.000000
    19  H    4.834797   1.766800   1.766227   0.000000
    20  H    4.082197   4.319585   3.742862   3.774610   0.000000
    21  H    4.904578   3.776777   3.113155   2.577391   1.767562
    22  H    4.930590   3.757106   2.535211   3.100868   1.767111
    23  H    3.642116   2.477024   3.887435   2.695660   4.705717
    24  H    4.330872   4.953492   5.672557   4.374418   4.206140
    25  H    5.449571   4.655622   6.140515   4.746660   6.916843
    26  H    6.021099   4.201999   5.352201   3.735106   6.436398
    27  H    6.948446   5.843849   7.075446   5.448275   7.700380
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.766490   0.000000
    23  H    4.090331   4.954836   0.000000
    24  H    3.860863   5.307570   3.062570   0.000000
    25  H    6.162453   7.284688   2.434924   3.867703   0.000000
    26  H    5.292025   6.520047   2.429952   3.870552   1.760809
    27  H    6.669995   8.044836   3.713092   4.286617   1.778786
                   26         27
    26  H    0.000000
    27  H    1.778747   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.753212    0.261201    1.693960
      2          6           0       -1.991275    0.379275    0.192703
      3          6           0       -0.849009   -0.284062   -0.673672
      4          6           0        0.523957   -0.362760   -0.129190
      5          6           0        1.600074    0.202273   -0.683932
      6          6           0        2.971335    0.145334   -0.139740
      7          8           0        3.879212    0.705568   -0.725256
      8          6           0       -2.328795    1.809261   -0.188051
      9          6           0       -2.945679   -0.733150   -0.326549
     10          6           0       -1.715204   -1.570236   -0.737989
     11          6           0        3.228267   -0.612295    1.146957
     12          1           0       -3.520012   -0.399442   -1.191692
     13          1           0       -3.631250   -1.169043    0.400509
     14          1           0       -0.830366    0.203561   -1.650261
     15          1           0       -1.427501   -2.287210    0.031723
     16          1           0       -1.746461   -2.086631   -1.696096
     17          1           0       -1.522157   -0.762423    1.994493
     18          1           0       -2.649402    0.568790    2.237355
     19          1           0       -0.929068    0.901723    2.015625
     20          1           0       -2.519952    1.897738   -1.259237
     21          1           0       -1.507307    2.484467    0.065367
     22          1           0       -3.220245    2.153813    0.342854
     23          1           0        0.639748   -0.919587    0.795696
     24          1           0        1.514703    0.761846   -1.609834
     25          1           0        2.945548   -1.661881    1.042967
     26          1           0        2.641207   -0.194560    1.967518
     27          1           0        4.286065   -0.544744    1.388076
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1384318           0.4996663           0.4923175
 Leave Link  202 at Sun Sep 26 19:47:34 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       608.1382990542 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Sun Sep 26 19:47:35 2021, MaxMem=  6442450944 cpu:               4.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.80D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Sun Sep 26 19:47:35 2021, MaxMem=  6442450944 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:47:36 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer07_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:47:36 2021, MaxMem=  6442450944 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442165951 LenY=  6442026381
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.238795118703    
 DIIS: error= 4.39D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.238795118703     IErMin= 1 ErrMin= 4.39D-03
 ErrMax= 4.39D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-02 BMatP= 1.67D-02
 IDIUse=3 WtCom= 9.56D-01 WtEn= 4.39D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.377 Goal=   None    Shift=    0.000
 GapD=    0.377 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.32D-03 MaxDP=5.53D-01              OVMax= 2.49D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.99D-03    CP:  1.11D+00
 E= -465.257150208407     Delta-E=       -0.018355089704 Rises=F Damp=F
 DIIS: error= 1.21D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.257150208407     IErMin= 2 ErrMin= 1.21D-03
 ErrMax= 1.21D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.65D-04 BMatP= 1.67D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.21D-02
 Coeff-Com: -0.301D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.298D-01 0.103D+01
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.77D-03 MaxDP=1.35D-01 DE=-1.84D-02 OVMax= 1.13D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.52D-04    CP:  1.15D+00  1.16D+00
 E= -465.257674432421     Delta-E=       -0.000524224014 Rises=F Damp=F
 DIIS: error= 1.48D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.257674432421     IErMin= 2 ErrMin= 1.21D-03
 ErrMax= 1.48D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.93D-04 BMatP= 7.65D-04
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.48D-02
 Coeff-Com: -0.662D-01 0.544D+00 0.522D+00
 Coeff-En:   0.000D+00 0.152D+00 0.848D+00
 Coeff:     -0.653D-01 0.539D+00 0.527D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=2.17D-04 MaxDP=1.85D-02 DE=-5.24D-04 OVMax= 5.85D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.56D-04    CP:  1.15D+00  1.18D+00  1.03D+00
 E= -465.258219663533     Delta-E=       -0.000545231112 Rises=F Damp=F
 DIIS: error= 1.98D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.258219663533     IErMin= 4 ErrMin= 1.98D-04
 ErrMax= 1.98D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-05 BMatP= 7.65D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.98D-03
 Coeff-Com: -0.148D-01 0.364D-01 0.158D+00 0.820D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.148D-01 0.363D-01 0.158D+00 0.820D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=8.15D-05 MaxDP=3.24D-03 DE=-5.45D-04 OVMax= 1.48D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.42D-05    CP:  1.15D+00  1.18D+00  1.07D+00  1.01D+00
 E= -465.258247626660     Delta-E=       -0.000027963127 Rises=F Damp=F
 DIIS: error= 6.97D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.258247626660     IErMin= 5 ErrMin= 6.97D-05
 ErrMax= 6.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-06 BMatP= 2.79D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.319D-02-0.488D-01-0.171D-01 0.236D+00 0.827D+00
 Coeff:      0.319D-02-0.488D-01-0.171D-01 0.236D+00 0.827D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=2.87D-05 MaxDP=1.31D-03 DE=-2.80D-05 OVMax= 5.45D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.99D-05    CP:  1.15D+00  1.18D+00  1.09D+00  1.06D+00  1.01D+00
 E= -465.258250782587     Delta-E=       -0.000003155927 Rises=F Damp=F
 DIIS: error= 1.26D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.258250782587     IErMin= 6 ErrMin= 1.26D-05
 ErrMax= 1.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.14D-08 BMatP= 2.34D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.123D-02-0.104D-01-0.976D-02 0.672D-02 0.138D+00 0.874D+00
 Coeff:      0.123D-02-0.104D-01-0.976D-02 0.672D-02 0.138D+00 0.874D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=7.33D-06 MaxDP=2.60D-04 DE=-3.16D-06 OVMax= 2.65D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.19D-06    CP:  1.15D+00  1.18D+00  1.09D+00  1.06D+00  1.05D+00
                    CP:  1.09D+00
 E= -465.258250962549     Delta-E=       -0.000000179962 Rises=F Damp=F
 DIIS: error= 6.19D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.258250962549     IErMin= 7 ErrMin= 6.19D-06
 ErrMax= 6.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.86D-08 BMatP= 9.14D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.115D-03 0.169D-02-0.173D-02-0.282D-01-0.535D-01 0.388D+00
 Coeff-Com:  0.694D+00
 Coeff:      0.115D-03 0.169D-02-0.173D-02-0.282D-01-0.535D-01 0.388D+00
 Coeff:      0.694D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=3.01D-06 MaxDP=1.53D-04 DE=-1.80D-07 OVMax= 7.25D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.44D-06    CP:  1.15D+00  1.18D+00  1.09D+00  1.06D+00  1.06D+00
                    CP:  1.16D+00  1.03D+00
 E= -465.258251016139     Delta-E=       -0.000000053589 Rises=F Damp=F
 DIIS: error= 1.52D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.258251016139     IErMin= 8 ErrMin= 1.52D-06
 ErrMax= 1.52D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-09 BMatP= 3.86D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.154D-03 0.182D-02 0.146D-02-0.611D-02-0.320D-01-0.527D-01
 Coeff-Com:  0.622D-01 0.103D+01
 Coeff:     -0.154D-03 0.182D-02 0.146D-02-0.611D-02-0.320D-01-0.527D-01
 Coeff:      0.622D-01 0.103D+01
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=1.36D-06 MaxDP=6.69D-05 DE=-5.36D-08 OVMax= 5.59D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.14D-07    CP:  1.15D+00  1.18D+00  1.09D+00  1.06D+00  1.06D+00
                    CP:  1.18D+00  1.15D+00  1.26D+00
 E= -465.258251022079     Delta-E=       -0.000000005941 Rises=F Damp=F
 DIIS: error= 4.79D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.258251022079     IErMin= 9 ErrMin= 4.79D-07
 ErrMax= 4.79D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.13D-10 BMatP= 1.63D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.463D-04 0.315D-03 0.590D-03 0.576D-03-0.361D-02-0.371D-01
 Coeff-Com: -0.582D-01 0.273D+00 0.824D+00
 Coeff:     -0.463D-04 0.315D-03 0.590D-03 0.576D-03-0.361D-02-0.371D-01
 Coeff:     -0.582D-01 0.273D+00 0.824D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=3.93D-07 MaxDP=3.09D-05 DE=-5.94D-09 OVMax= 1.19D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.43D-07    CP:  1.15D+00  1.18D+00  1.09D+00  1.06D+00  1.06D+00
                    CP:  1.19D+00  1.17D+00  1.36D+00  1.08D+00
 E= -465.258251022664     Delta-E=       -0.000000000585 Rises=F Damp=F
 DIIS: error= 2.58D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.258251022664     IErMin=10 ErrMin= 2.58D-07
 ErrMax= 2.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.00D-11 BMatP= 3.13D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.138D-04-0.236D-03-0.668D-04 0.108D-02 0.452D-02 0.310D-02
 Coeff-Com: -0.338D-01-0.922D-01 0.166D+00 0.952D+00
 Coeff:      0.138D-04-0.236D-03-0.668D-04 0.108D-02 0.452D-02 0.310D-02
 Coeff:     -0.338D-01-0.922D-01 0.166D+00 0.952D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=2.01D-07 MaxDP=1.88D-05 DE=-5.85D-10 OVMax= 5.93D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.77D-08    CP:  1.15D+00  1.18D+00  1.09D+00  1.06D+00  1.06D+00
                    CP:  1.18D+00  1.18D+00  1.41D+00  1.17D+00  1.22D+00
 E= -465.258251022741     Delta-E=       -0.000000000077 Rises=F Damp=F
 DIIS: error= 6.34D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.258251022741     IErMin=11 ErrMin= 6.34D-08
 ErrMax= 6.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.06D-12 BMatP= 4.00D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.685D-05-0.726D-04-0.571D-04 0.138D-03 0.118D-02 0.448D-02
 Coeff-Com: -0.413D-02-0.372D-01-0.554D-01 0.181D+00 0.910D+00
 Coeff:      0.685D-05-0.726D-04-0.571D-04 0.138D-03 0.118D-02 0.448D-02
 Coeff:     -0.413D-02-0.372D-01-0.554D-01 0.181D+00 0.910D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=5.53D-08 MaxDP=3.31D-06 DE=-7.69D-11 OVMax= 1.45D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.32D-08    CP:  1.15D+00  1.18D+00  1.09D+00  1.06D+00  1.06D+00
                    CP:  1.19D+00  1.18D+00  1.42D+00  1.20D+00  1.32D+00
                    CP:  1.21D+00
 E= -465.258251022722     Delta-E=        0.000000000019 Rises=F Damp=F
 DIIS: error= 2.10D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -465.258251022741     IErMin=12 ErrMin= 2.10D-08
 ErrMax= 2.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.52D-13 BMatP= 4.06D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.415D-06 0.155D-04-0.288D-06-0.122D-03-0.342D-03 0.801D-03
 Coeff-Com:  0.283D-02 0.650D-02-0.377D-01-0.835D-01 0.215D+00 0.896D+00
 Coeff:     -0.415D-06 0.155D-04-0.288D-06-0.122D-03-0.342D-03 0.801D-03
 Coeff:      0.283D-02 0.650D-02-0.377D-01-0.835D-01 0.215D+00 0.896D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=2.24D-08 MaxDP=1.83D-06 DE= 1.86D-11 OVMax= 4.23D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.26D-09    CP:  1.15D+00  1.18D+00  1.09D+00  1.06D+00  1.06D+00
                    CP:  1.19D+00  1.17D+00  1.42D+00  1.20D+00  1.36D+00
                    CP:  1.34D+00  1.18D+00
 E= -465.258251022778     Delta-E=       -0.000000000055 Rises=F Damp=F
 DIIS: error= 6.40D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -465.258251022778     IErMin=13 ErrMin= 6.40D-09
 ErrMax= 6.40D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.78D-14 BMatP= 4.52D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.663D-06 0.968D-05 0.593D-05-0.447D-04-0.171D-03-0.163D-03
 Coeff-Com:  0.827D-03 0.474D-02-0.509D-02-0.329D-01-0.284D-01 0.207D+00
 Coeff-Com:  0.854D+00
 Coeff:     -0.663D-06 0.968D-05 0.593D-05-0.447D-04-0.171D-03-0.163D-03
 Coeff:      0.827D-03 0.474D-02-0.509D-02-0.329D-01-0.284D-01 0.207D+00
 Coeff:      0.854D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=5.57D-09 MaxDP=2.56D-07 DE=-5.53D-11 OVMax= 8.85D-08

 SCF Done:  E(RM11) =  -465.258251023     A.U. after   13 cycles
            NFock= 13  Conv=0.56D-08     -V/T= 2.0124
 KE= 4.595551331764D+02 PE=-2.293434079761D+03 EE= 7.604823965073D+02
 Leave Link  502 at Sun Sep 26 19:50:26 2021, MaxMem=  6442450944 cpu:            1350.2 elap:             169.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.50438572D+02

 Leave Link  801 at Sun Sep 26 19:50:26 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 4.13D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.47D-01 5.42D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 2.48D-02 5.63D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 4.21D-03 1.75D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 4.09D-04 4.42D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 2.85D-05 9.06D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 1.20D-06 1.68D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 3.26D-08 2.74D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D-09 5.28D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 2.75D-11 9.64D-07.
      9 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 5.65D-13 1.24D-07.
      1 vectors produced by pass 11 Test12= 2.16D-13 8.33D-09 XBig12= 2.15D-14 1.49D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.168526D+03
      2  0.834970D+01  0.110403D+03
      3 -0.471336D+01 -0.430806D+01  0.111365D+03
 Isotropic polarizability for W=    0.085645      130.10 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.738251D+02  0.487559D+02 -0.198941D+02
      2  -0.512277D+02 -0.354708D+02 -0.122175D+02
      3  -0.225973D+02 -0.132851D+02  0.321117D+02
      4   0.424930D+02 -0.841795D+02 -0.515035D+02
      5  -0.126052D+02 -0.540576D+02 -0.437691D+02
      6  -0.288540D+02  0.210873D+01  0.327557D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.645532D+01  0.999390D+01  0.350048D+01
      2   0.145711D+02 -0.148735D+02 -0.229812D+02
      3  -0.302686D+02  0.381195D+02  0.211136D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.255406D+01  0.143263D+02 -0.165607D+02
      2  -0.728894D+01 -0.226495D+02 -0.211718D+02
      3  -0.626293D+01  0.329517D+02  0.252036D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.248153D+01 -0.526159D+01  0.383908D+01
      2  -0.526159D+01  0.166675D+01 -0.231209D+01
      3   0.383908D+01 -0.231209D+01 -0.436352D+01
 OR G Eigenvalues:    -6.0846    -2.9504     8.8197  Iso=     0.0717
 Eigenvectors:
   (1)  -0.413695  -0.009268   0.910369
   (2)   0.567259   0.779496   0.265713
   (3)   0.712091  -0.626339   0.317216
 w=    0.085645 a.u., Optical Rotation Beta=      0.0717 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =       22.35 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 5.80D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.60D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 4.23D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 5.42D-02 5.26D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 3.43D-03 1.31D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 5.34D-05 1.09D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 9.91D-07 1.28D-04.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 2.00D-08 1.63D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 2.82D-10 1.67D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 3.12D-12 1.46D-07.
     22 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 2.73D-14 1.55D-08.
      2 vectors produced by pass  9 Test12= 3.60D-14 2.78D-09 XBig12= 2.46D-15 3.60D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   264 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.76D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.76D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.99D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168526D+03  0.834970D+01 -0.471336D+01
      2   0.834970D+01  0.110403D+03 -0.430806D+01
      3  -0.471336D+01 -0.430806D+01  0.111365D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.645532D+01  0.999390D+01  0.350048D+01
      2   0.145711D+02 -0.148735D+02 -0.229812D+02
      3  -0.302686D+02  0.381195D+02  0.211136D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.738251D+02  0.487559D+02 -0.198941D+02
      2  -0.512277D+02 -0.354708D+02 -0.122175D+02
      3  -0.225973D+02 -0.132851D+02  0.321117D+02
      4   0.424930D+02 -0.841795D+02 -0.515035D+02
      5  -0.126052D+02 -0.540576D+02 -0.437691D+02
      6  -0.288540D+02  0.210873D+01  0.327557D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.300371D+01 -0.331492D+01 -0.506073D+01 -0.389211D+01 -0.238377D+01
      2  -0.331492D+01 -0.227920D+01  0.311605D+00 -0.238377D+01  0.337066D+01
      3  -0.506073D+01  0.311605D+00  0.215930D+01  0.455412D+00 -0.304579D+01
                 6             7             8             9            10 
      1   0.455412D+00 -0.440649D+01  0.594245D+00  0.222544D+01 -0.195819D+02
      2  -0.304579D+01  0.594245D+00 -0.250278D+01 -0.123464D+01  0.506533D+01
      3  -0.102126D+01  0.222544D+01 -0.123464D+01  0.259854D+01  0.581421D+01
                11            12            13            14            15 
      1   0.506533D+01  0.581421D+01  0.713588D+01  0.540001D+00 -0.957601D+00
      2   0.215592D+01 -0.698572D-01  0.540001D+00 -0.629356D+00  0.260798D+01
      3  -0.698572D-01 -0.237389D+01 -0.957601D+00  0.260798D+01  0.192058D+01
                16            17            18            19            20 
      1   0.149710D+02 -0.930152D+00 -0.401490D+01  0.434090D+02  0.201926D+01
      2  -0.930152D+00  0.312041D+01  0.239852D+01  0.201926D+01  0.346286D+01
      3  -0.401490D+01  0.239852D+01 -0.313209D+01 -0.363803D+01  0.135600D+01
                21            22            23            24            25 
      1  -0.363803D+01 -0.271951D+01  0.759189D+01  0.396965D+01 -0.568770D+01
      2   0.135600D+01  0.759189D+01  0.192684D+01  0.574644D+00  0.325393D+01
      3   0.144085D+01  0.396965D+01  0.574644D+00 -0.381436D+01  0.299805D+01
                26            27            28            29            30 
      1   0.325393D+01  0.299805D+01 -0.599582D+02 -0.657529D+01  0.457548D+01
      2   0.432010D+00 -0.337559D+01 -0.657529D+01 -0.376432D+01 -0.364153D+00
      3  -0.337559D+01  0.269817D+01  0.457548D+01 -0.364153D+00 -0.244216D+01
                31            32            33            34            35 
      1  -0.136512D+02 -0.655934D+01 -0.503120D+00  0.850223D+01  0.202321D+00
      2  -0.655934D+01 -0.397044D+01 -0.128592D+01  0.202321D+00 -0.397062D+00
      3  -0.503120D+00 -0.128592D+01  0.186986D+01 -0.438651D+01  0.201499D+01
                36            37            38            39            40 
      1  -0.438651D+01  0.591755D+02  0.907790D+01 -0.578013D+01  0.143482D+02
      2   0.201499D+01  0.907790D+01  0.316882D+01  0.168386D+00  0.550341D+01
      3  -0.142723D+01 -0.578013D+01  0.168386D+00  0.129019D+01  0.933509D-01
                41            42            43            44            45 
      1   0.550341D+01  0.933509D-01 -0.725545D+01  0.419228D+00  0.347642D+01
      2   0.311254D+01  0.101365D+01  0.419228D+00  0.230062D+00 -0.282230D+01
      3   0.101365D+01 -0.273808D+01  0.347642D+01 -0.282230D+01  0.130861D+01
                46            47            48            49            50 
      1  -0.424618D+02 -0.895235D+01  0.544029D+01 -0.997913D+01 -0.308494D+01
      2  -0.895235D+01 -0.170383D+01  0.154716D+01 -0.308494D+01 -0.109504D+01
      3   0.544029D+01  0.154716D+01 -0.563950D+00  0.230497D+01 -0.197723D+00
                51            52            53            54            55 
      1   0.230497D+01  0.264017D+01  0.175344D+01 -0.197420D+01  0.337860D+02
      2  -0.197723D+00  0.175344D+01  0.305312D+00  0.101291D+01  0.695008D+01
      3   0.103326D+01 -0.197420D+01  0.101291D+01 -0.124265D+01 -0.513781D+01
                56            57            58            59            60 
      1   0.695008D+01 -0.513781D+01  0.156013D+02  0.726682D+01 -0.164281D+01
      2   0.279339D+01 -0.123561D+01  0.726682D+01  0.502079D+01 -0.203519D+01
      3  -0.123561D+01  0.239378D+01 -0.164281D+01 -0.203519D+01  0.983229D+00
                61            62            63            64            65 
      1  -0.165741D+02 -0.311249D+01  0.565344D+01  0.617549D+01 -0.463597D+01
      2  -0.311249D+01 -0.154064D+01  0.186952D+01 -0.463597D+01 -0.198038D+01
      3   0.565344D+01  0.186952D+01 -0.417683D+01 -0.310094D+01  0.503709D+00
                66            67            68            69            70 
      1  -0.310094D+01 -0.427947D+01 -0.187304D+01  0.669790D+00 -0.564317D+01
      2   0.503709D+00 -0.187304D+01  0.720676D+00 -0.219064D+01  0.796338D+00
      3   0.202255D+01  0.669790D+00 -0.219064D+01 -0.108967D+01  0.277881D+01
                71            72            73            74            75 
      1   0.796338D+00  0.277881D+01  0.752793D+00  0.969997D+00 -0.506185D+00
      2  -0.231970D+01 -0.201915D+01  0.969997D+00 -0.268653D+01 -0.297283D+01
      3  -0.201915D+01  0.559219D+01 -0.506185D+00 -0.297283D+01  0.231366D+01
                76            77            78            79            80 
      1   0.158753D+01 -0.323382D+01 -0.428774D+01 -0.102028D+01 -0.418143D+01
      2  -0.323382D+01 -0.231523D+01 -0.131111D+01 -0.418143D+01 -0.179064D+01
      3  -0.428774D+01 -0.131111D+01 -0.112840D+01  0.336691D+01 -0.840637D+00
                81            82            83            84            85 
      1   0.336691D+01 -0.720892D+01 -0.650836D+01 -0.183437D+01 -0.830965D+01
      2  -0.840637D+00 -0.650836D+01 -0.263850D+01  0.107891D+01 -0.450379D+01
      3   0.127900D+01 -0.183437D+01  0.107891D+01 -0.472946D-01  0.439921D+00
                86            87            88            89            90 
      1  -0.450379D+01  0.439921D+00  0.353044D+01  0.193593D+01 -0.178937D+00
      2   0.476923D+00 -0.369460D-01  0.193593D+01  0.734027D+00  0.472219D+01
      3  -0.369460D-01  0.364544D+01 -0.178937D+00  0.472219D+01  0.206224D+01
                91            92            93            94            95 
      1  -0.860187D+01 -0.670594D+00 -0.283152D+01 -0.230688D+01  0.148147D+01
      2  -0.670594D+00  0.214510D+01 -0.668424D-01  0.148147D+01  0.438236D+01
      3  -0.283152D+01 -0.668424D-01  0.261392D+01 -0.727275D+00 -0.604229D-01
                96            97            98            99           100 
      1  -0.727275D+00 -0.653192D+00 -0.525941D+00  0.299800D+01 -0.518578D+01
      2  -0.604229D-01 -0.525941D+00  0.502301D+00 -0.208469D+01  0.254737D+00
      3  -0.251875D+01  0.299800D+01 -0.208469D+01 -0.543572D+00 -0.269620D+01
               101           102           103           104           105 
      1   0.254737D+00 -0.269620D+01  0.141752D+01 -0.853696D+00  0.123369D+01
      2  -0.580825D+00  0.431463D+00 -0.853696D+00  0.984082D+00 -0.694843D+00
      3   0.431463D+00 -0.229943D+01  0.123369D+01 -0.694843D+00  0.114598D+01
               106           107           108           109           110 
      1  -0.406551D+01  0.855889D+00 -0.372969D+01 -0.716400D+01 -0.242323D+01
      2   0.855889D+00 -0.119468D+01  0.346744D+00 -0.242323D+01 -0.139369D+01
      3  -0.372969D+01  0.346744D+00 -0.455793D+01  0.223477D+01  0.999275D+00
               111           112           113           114           115 
      1   0.223477D+01 -0.247182D+01 -0.196143D+01  0.123167D+01  0.445300D+01
      2   0.999275D+00 -0.196143D+01 -0.192885D+01  0.101355D+01  0.188789D+01
      3  -0.184990D+01  0.123167D+01  0.101355D+01 -0.812211D+00 -0.313540D+01
               116           117           118           119           120 
      1   0.188789D+01 -0.313540D+01  0.495849D+00  0.680541D+00 -0.870268D+00
      2   0.174334D+01 -0.102166D+01  0.680541D+00 -0.292576D+00 -0.271765D+00
      3  -0.102166D+01  0.257753D+01 -0.870268D+00 -0.271765D+00  0.161912D-01
               121           122           123           124           125 
      1   0.178904D+01 -0.672237D+00 -0.119711D+00 -0.726703D+00  0.140765D-01
      2  -0.672237D+00  0.139138D+01 -0.137960D+01  0.140765D-01 -0.165871D+01
      3  -0.119711D+00 -0.137960D+01  0.201986D+01 -0.545160D+00  0.157672D+01
               126           127           128           129           130 
      1  -0.545160D+00  0.919343D+00 -0.407250D+00  0.732584D+00 -0.212435D+00
      2   0.157672D+01 -0.407250D+00  0.158098D+01 -0.495209D+00  0.750888D+00
      3  -0.593839D+01  0.732584D+00 -0.495209D+00  0.509011D+00 -0.314233D+00
               131           132           133           134           135 
      1   0.750888D+00 -0.314233D+00  0.136170D+01 -0.362113D+00  0.213972D+00
      2  -0.555320D+01  0.169530D+01 -0.362113D+00  0.318259D+01 -0.230571D+01
      3   0.169530D+01 -0.173872D+01  0.213972D+00 -0.230571D+01  0.213029D+01
               136           137           138           139           140 
      1   0.737678D+00 -0.439890D+00 -0.945831D+00  0.113678D+01 -0.374803D+00
      2  -0.439890D+00  0.184755D+00 -0.147846D+00 -0.374803D+00 -0.452108D+01
      3  -0.945831D+00 -0.147846D+00 -0.698765D-01 -0.586277D+00 -0.296839D+01
               141           142           143           144           145 
      1  -0.586277D+00 -0.201695D+01 -0.117429D+01 -0.955493D+00  0.613640D+00
      2  -0.296839D+01 -0.117429D+01 -0.438472D+01 -0.463564D+01 -0.673003D+00
      3  -0.278072D+01 -0.955493D+00 -0.463564D+01 -0.621014D+01  0.964292D+00
               146           147           148           149           150 
      1  -0.673003D+00  0.964292D+00 -0.938810D+00  0.925396D+00 -0.118457D+00
      2   0.909960D+00 -0.355151D+00  0.925396D+00 -0.548238D+01  0.230292D+01
      3  -0.355151D+00  0.353358D+00 -0.118457D+00  0.230292D+01 -0.284543D+01
               151           152           153           154           155 
      1   0.671781D+00 -0.251226D+00  0.914768D-01 -0.623752D+01  0.158594D+01
      2  -0.251226D+00  0.169316D+01 -0.159295D+01  0.158594D+01 -0.110835D+01
      3   0.914768D-01 -0.159295D+01  0.162636D+01  0.407870D+01 -0.934081D+00
               156           157           158           159           160 
      1   0.407870D+01  0.153832D+01 -0.106157D+01 -0.925370D+00  0.248073D+01
      2  -0.934081D+00 -0.106157D+01  0.763163D+00  0.141918D+01 -0.728111D+00
      3  -0.414063D+01 -0.925370D+00  0.141918D+01  0.142590D+01 -0.302516D+01
               161           162           163           164           165 
      1  -0.728111D+00 -0.302516D+01  0.354234D+01  0.180067D+01  0.189054D+01
      2   0.862091D+00  0.102813D+01  0.180067D+01  0.188851D+01  0.997407D+00
      3   0.102813D+01  0.378314D+01  0.189054D+01  0.997407D+00  0.216992D+01
               166           167           168           169           170 
      1   0.206069D+01  0.147632D+01  0.637829D+00  0.111157D+01  0.466988D+00
      2   0.147632D+01  0.225182D+01  0.176086D+01  0.466988D+00  0.101405D+01
      3   0.637829D+00  0.176086D+01  0.218615D+01  0.938745D+00  0.118749D+01
               171           172           173           174           175 
      1   0.938745D+00 -0.142086D+01  0.972815D+00 -0.962012D+00  0.470412D+00
      2   0.118749D+01  0.972815D+00 -0.166435D+00  0.304224D+00 -0.113483D+00
      3   0.190730D+01 -0.962012D+00  0.304224D+00 -0.117703D+01  0.280620D+00
               176           177           178           179           180 
      1  -0.113483D+00  0.280620D+00 -0.140251D+01  0.840867D+00 -0.204930D+01
      2   0.508704D+00 -0.110176D+01  0.840867D+00 -0.217488D+01  0.207137D+01
      3  -0.110176D+01  0.766750D+00 -0.204930D+01  0.207137D+01 -0.731494D+01
               181           182           183           184           185 
      1   0.264860D+01  0.202612D+01  0.766862D+00  0.153640D+01  0.179826D+01
      2   0.202612D+01  0.403843D+01  0.388325D+00  0.179826D+01  0.513549D+01
      3   0.766862D+00  0.388325D+00  0.822304D+00  0.252166D+00  0.834438D+00
               186           187           188           189           190 
      1   0.252166D+00  0.101242D+01  0.145578D+00  0.287531D+00 -0.741590D+01
      2   0.834438D+00  0.145578D+00  0.149130D+01  0.120585D+01  0.394451D+01
      3   0.883662D+00  0.287531D+00  0.120585D+01  0.197445D+00  0.218332D+01
               191           192           193           194           195 
      1   0.394451D+01  0.218332D+01  0.150755D+01 -0.218592D+01 -0.776939D+00
      2  -0.278102D+01 -0.926407D+00 -0.218592D+01  0.234303D+01  0.106327D+01
      3  -0.926407D+00 -0.177708D+01 -0.776939D+00  0.106327D+01  0.654903D+00
               196           197           198           199           200 
      1   0.342874D+01 -0.166894D+01 -0.216315D+01 -0.143183D+01 -0.912350D+00
      2  -0.166894D+01  0.206175D+01  0.134525D+01 -0.912350D+00  0.385962D-01
      3  -0.216315D+01  0.134525D+01  0.137708D+01  0.112824D+01 -0.222362D+00
               201           202           203           204           205 
      1   0.112824D+01 -0.155556D+01  0.810281D+00  0.298817D+00  0.127073D+01
      2  -0.222362D+00  0.810281D+00 -0.128009D+01  0.142927D+01  0.276061D+00
      3   0.403993D+00  0.298817D+00  0.142927D+01 -0.191940D+01  0.600859D+00
               206           207           208           209           210 
      1   0.276061D+00  0.600859D+00  0.945437D+00  0.723221D+00 -0.912916D+00
      2   0.169430D+01 -0.177298D+01  0.723221D+00  0.162262D-01  0.941710D-01
      3  -0.177298D+01  0.375548D+01 -0.912916D+00  0.941710D-01 -0.271087D+00
               211           212           213           214           215 
      1   0.111928D+01 -0.138949D-01 -0.405118D+00 -0.133634D+01 -0.255114D+00
      2  -0.138949D-01  0.190612D+01 -0.187719D+01 -0.255114D+00 -0.209807D+01
      3  -0.405118D+00 -0.187719D+01  0.274455D+01  0.916933D-01  0.245053D+01
               216           217           218           219           220 
      1   0.916933D-01  0.104975D+01 -0.769929D+00  0.180920D+00 -0.209195D+01
      2   0.245053D+01 -0.769929D+00 -0.112800D+01  0.210980D+00  0.267246D+00
      3  -0.567673D+01  0.180920D+00  0.210980D+00 -0.856362D+00 -0.599879D+00
               221           222           223           224           225 
      1   0.267246D+00 -0.599879D+00  0.627401D+00  0.158771D+00 -0.263416D+00
      2  -0.762643D+01  0.866011D+00  0.158771D+00 -0.317376D+00 -0.751038D+00
      3   0.866011D+00 -0.142551D+01 -0.263416D+00 -0.751038D+00  0.280748D+00
               226           227           228           229           230 
      1  -0.440157D+00  0.772342D+00  0.126120D+01  0.845181D+00 -0.570001D+00
      2   0.772342D+00 -0.997166D+00 -0.153471D+00 -0.570001D+00  0.490581D+00
      3   0.126120D+01 -0.153471D+00 -0.259343D+01 -0.858621D-01  0.120591D+01
               231           232           233           234           235 
      1  -0.858621D-01  0.266364D+01 -0.376156D+00 -0.819806D+00  0.985340D+01
      2   0.120591D+01 -0.376156D+00  0.115259D+01  0.103968D+01 -0.560325D+00
      3   0.208185D+01 -0.819806D+00  0.103968D+01  0.576121D+01  0.302553D+01
               236           237           238           239           240 
      1  -0.560325D+00  0.302553D+01  0.314467D+00  0.103374D+01  0.182490D+00
      2   0.111729D+01 -0.176034D+00  0.103374D+01 -0.383052D+00  0.398538D+00
      3  -0.176034D+00  0.195309D+01  0.182490D+00  0.398538D+00  0.470529D+00
               241           242           243 
      1   0.206290D+01 -0.355977D-01  0.151977D+01
      2  -0.355977D-01  0.159934D+00  0.187083D+00
      3   0.151977D+01  0.187083D+00  0.128518D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.584169D+01 -0.535026D+01  0.466430D+00 -0.515899D+01  0.976860D+01
      2   0.752645D+01  0.715761D+01  0.104336D+02  0.675695D+01  0.118744D+02
      3  -0.661369D+01 -0.778605D+01 -0.105453D+01 -0.360120D+01  0.512250D+01
                 6             7             8             9            10 
      1  -0.111226D+02 -0.386983D+00 -0.411762D+01 -0.260384D+01  0.693099D+00
      2   0.928811D+00  0.293224D+01  0.193872D+01 -0.885120D+01 -0.197144D+02
      3  -0.528229D+01 -0.442684D+00 -0.492251D+01 -0.172824D+01  0.132820D+02
                11            12            13            14            15 
      1   0.235136D+01  0.163507D+01  0.275629D+01 -0.466468D+01 -0.498172D+01
      2  -0.145145D+01  0.849030D+01 -0.169454D+01 -0.918383D+01 -0.517360D+01
      3   0.421748D+01  0.419500D+01  0.152944D+02  0.349002D+01  0.640488D+01
                16            17            18            19            20 
      1  -0.634144D-01  0.572293D+01  0.355324D+01 -0.257169D+01 -0.103385D+01
      2   0.729204D+01 -0.520233D+01  0.723829D+01  0.249166D+02  0.255921D+01
      3  -0.253847D+00  0.647408D+01  0.377171D+01 -0.169972D+02 -0.666603D+01
                21            22            23            24            25 
      1  -0.949099D+00  0.319970D+00 -0.110757D+01 -0.474273D+01  0.117049D+00
      2   0.103871D+01  0.163942D+01  0.607793D+01  0.602603D+01 -0.151965D+02
      3  -0.504551D-01  0.474646D+01 -0.451555D+01 -0.962825D+00 -0.125994D+01
                26            27            28            29            30 
      1   0.470046D+00  0.417744D+01  0.691671D+01 -0.437662D+00 -0.666008D+00
      2   0.457491D+01  0.287006D+00 -0.282851D+02 -0.547873D+01 -0.135930D+01
      3  -0.225784D+01 -0.296620D+01  0.148011D+02  0.629172D+01  0.644731D+00
                31            32            33            34            35 
      1  -0.527519D+01  0.911117D+00 -0.209940D+01 -0.322168D+01  0.272830D+01
      2  -0.140091D+02 -0.436448D+01 -0.250887D+00 -0.214882D+02 -0.264247D+01
      3   0.320255D+02  0.831515D+01 -0.108263D+01  0.295397D+01  0.104238D+01
                36            37            38            39            40 
      1  -0.395964D+01 -0.712567D+01  0.159536D+01  0.129165D+01  0.593270D+01
      2  -0.806707D-01  0.211482D+02  0.565715D+01  0.484629D+01  0.139131D+02
      3   0.477942D+00 -0.221155D+02 -0.116402D+02  0.120897D+00 -0.119272D+01
                41            42            43            44            45 
      1  -0.618648D-01 -0.991903D+00  0.848945D+01  0.197926D+01  0.804104D+00
      2   0.585830D+01 -0.486520D+01 -0.105238D+02 -0.631896D+01  0.916774D+01
      3  -0.224769D+01 -0.395486D+01 -0.306372D+01 -0.464426D+01  0.377782D+01
                46            47            48            49            50 
      1   0.651025D+01 -0.895118D+01 -0.198520D+01 -0.534956D+01  0.876286D+01
      2  -0.628741D+01 -0.709956D+01 -0.749559D+01 -0.409388D+01 -0.277022D-01
      3   0.147989D+02  0.157681D+02  0.892358D+00  0.238724D+02  0.612178D+01
                51            52            53            54            55 
      1  -0.114739D+02 -0.898065D+00 -0.254878D+00 -0.119815D+02 -0.364852D+01
      2  -0.324614D+01 -0.193168D+02  0.253281D+00 -0.527162D+01  0.499857D+01
      3   0.324705D+01  0.124893D+01 -0.129797D+01 -0.324878D+00 -0.115345D+02
                56            57            58            59            60 
      1   0.240492D+01 -0.489900D+00 -0.185404D+01 -0.335592D+01 -0.135984D+00
      2   0.161505D+01  0.162008D+02  0.485949D+01 -0.248270D+01  0.863451D+01
      3  -0.189681D+02  0.189772D+01 -0.144545D+02 -0.168949D+02  0.400483D+01
                61            62            63            64            65 
      1   0.905369D+00  0.283312D+01  0.381504D+01  0.717089D+01 -0.120187D+01
      2   0.448855D+01  0.349309D+01 -0.128118D+02  0.957600D+01 -0.236751D+01
      3   0.449944D+01  0.925367D+01 -0.490386D+01 -0.762463D+01 -0.203273D+02
                66            67            68            69            70 
      1  -0.521804D+01 -0.830048D+00  0.574205D+01  0.188072D+01 -0.811988D+01
      2  -0.353515D+01 -0.228528D+01  0.528677D+01  0.313608D+01 -0.109962D+02
      3  -0.539447D+01 -0.108675D+02 -0.442701D+01 -0.505493D+01 -0.332163D+01
                71            72            73            74            75 
      1   0.881787D+01 -0.132167D+02 -0.354686D+00 -0.285648D+01  0.329005D+01
      2   0.562032D+01 -0.137700D+02  0.235018D+01  0.130943D+02 -0.587041D+01
      3  -0.449143D+01  0.186259D+00  0.538860D+01 -0.166585D+02 -0.131100D+02
                76            77            78            79            80 
      1  -0.313050D+01 -0.437318D+00 -0.294270D+01  0.542605D+01  0.181421D+01
      2   0.169810D+02  0.389820D+01  0.177743D+01 -0.179101D+02 -0.895021D+00
      3  -0.930604D+01 -0.431056D+01 -0.171115D+01 -0.159485D+02 -0.100607D+01
                81            82            83            84            85 
      1   0.153907D+01  0.306462D+00  0.525824D+01 -0.147575D+01  0.492365D+01
      2  -0.295336D+01 -0.193768D+01 -0.819790D+01  0.792502D+00 -0.118157D+02
      3  -0.568111D+01 -0.837204D+01  0.472576D+01  0.481257D+01  0.147671D+02
                86            87            88            89            90 
      1  -0.478030D+00  0.662004D+01 -0.729586D+00  0.159332D+02  0.130728D+01
      2  -0.423139D+01 -0.515605D+01 -0.302080D+01 -0.587110D+01 -0.304815D+01
      3   0.798478D+01 -0.290411D+01  0.723366D+01 -0.289654D+01  0.849821D+01
                91            92            93            94            95 
      1  -0.254842D+01  0.554530D+01  0.406465D+01 -0.160926D+01  0.744778D+01
      2  -0.259010D+01  0.585336D+00  0.179221D+02 -0.103477D+01 -0.399278D+01
      3   0.681568D+01 -0.104332D+02  0.246037D+01 -0.968315D+00 -0.170616D+02
                96            97            98            99           100 
      1  -0.762130D+01 -0.739767D+00  0.481276D+01 -0.408649D+01 -0.229003D+01
      2  -0.109465D+02  0.929843D+01 -0.727010D+01 -0.577198D+01  0.563920D+01
      3   0.739724D+00  0.229714D+01 -0.367864D+01  0.490142D+01  0.509409D+01
               101           102           103           104           105 
      1   0.147415D+01 -0.195542D+01  0.124696D+01 -0.177013D+01  0.411697D+00
      2  -0.172124D+01  0.814571D+01 -0.350681D+01  0.188647D+01 -0.365136D+01
      3  -0.352111D+01  0.400210D+01 -0.220701D+01  0.497639D+01 -0.327348D+01
               106           107           108           109           110 
      1  -0.346586D+01  0.310852D+01 -0.373622D+01  0.278837D+01  0.447533D+00
      2   0.823321D+01 -0.102320D+01  0.142565D+02 -0.929436D+01 -0.406897D+01
      3   0.647868D+01 -0.588566D+01  0.443883D+01 -0.554681D+00 -0.474520D+01
               111           112           113           114           115 
      1  -0.271734D+01  0.184668D+01  0.911413D+00 -0.222281D+01 -0.322473D+01
      2   0.933522D+01 -0.521868D+01 -0.410499D+01  0.393240D+01  0.102225D+02
      3   0.117361D+01 -0.196080D+01 -0.508664D+01  0.222657D+01  0.229727D+01
               116           117           118           119           120 
      1   0.240286D+00  0.343113D+01 -0.795628D+00  0.192253D+00  0.954862D-01
      2   0.370131D+01 -0.113504D+02  0.272640D+01  0.772443D+00  0.177215D+00
      3   0.555623D+01 -0.356662D+00  0.928904D+00 -0.975469D+00  0.265562D+00
               121           122           123           124           125 
      1  -0.116351D+01 -0.284590D+01  0.962603D+00 -0.862658D+00  0.425008D+01
      2   0.176866D+01  0.639363D+00 -0.239945D+01 -0.363416D+01 -0.160997D+01
      3   0.157713D+01  0.960388D+00 -0.115939D+01 -0.655277D-01 -0.153324D+01
               126           127           128           129           130 
      1  -0.271990D+01  0.232985D+01 -0.210228D+01  0.228361D+01 -0.171072D+01
      2   0.539138D+01 -0.754221D+00  0.750716D+00  0.693354D+00  0.111928D+01
      3   0.203898D+01 -0.342104D+01  0.238387D+01 -0.283596D+01  0.412369D+01
               131           132           133           134           135 
      1   0.743718D+01 -0.725502D+01  0.102674D+01 -0.617243D+01  0.859310D+01
      2  -0.202424D+01  0.235539D+01 -0.738491D+00  0.344232D+01 -0.304408D+01
      3  -0.114521D+02  0.400605D+01 -0.488516D+01  0.647327D+01 -0.527054D+01
               136           137           138           139           140 
      1  -0.126558D+01 -0.601802D+00  0.130900D+00 -0.585575D+00 -0.751674D+00
      2   0.193585D+01 -0.190432D+00 -0.457912D-01  0.257600D+00  0.485248D+01
      3  -0.930057D+00  0.203876D+00  0.144997D+01  0.127481D+01 -0.785617D+01
               141           142           143           144           145 
      1  -0.478608D+01 -0.271214D+00 -0.325973D+01 -0.972157D+01 -0.171346D+01
      2   0.457714D+01 -0.258041D+01  0.707678D+01  0.101299D+02 -0.441866D+01
      3  -0.447004D+01  0.234882D+01 -0.632959D+01 -0.740733D+01 -0.164856D+01
               146           147           148           149           150 
      1   0.284172D+01 -0.395029D+00  0.278042D+01 -0.147874D+02  0.222150D+01
      2   0.244878D+01 -0.162738D+01  0.404994D+01 -0.724353D+01  0.544585D+01
      3   0.971230D+00 -0.428018D+00  0.405611D+01 -0.897601D+01  0.372812D+01
               151           152           153           154           155 
      1  -0.569199D+00  0.484254D+01 -0.315355D+01  0.209195D+01 -0.320621D+01
      2  -0.292075D+01  0.378336D+01 -0.308273D+01  0.512278D+01 -0.141493D+01
      3  -0.851574D+00  0.269077D+01 -0.271866D+01  0.133548D+01 -0.370278D+01
               156           157           158           159           160 
      1  -0.316495D-01 -0.167103D+01  0.115305D+01  0.115625D+01 -0.882014D+00
      2   0.289529D+01 -0.213274D+01 -0.113173D+01 -0.150160D+01 -0.271194D+01
      3  -0.770442D+00 -0.745000D+00  0.157594D+01  0.248386D+01 -0.188011D+00
               161           162           163           164           165 
      1   0.314412D+01  0.427998D+00  0.316921D+01  0.468234D+01  0.117275D+00
      2  -0.352245D+00 -0.178429D+01 -0.146108D+02 -0.646375D+01 -0.672804D+01
      3   0.235220D+01  0.105027D+01  0.661600D+01  0.276274D+01  0.275379D+01
               166           167           168           169           170 
      1   0.309835D+01  0.421794D+01  0.871964D+00  0.563274D+00  0.302871D+01
      2  -0.721074D+01 -0.720359D+01 -0.476573D+01 -0.653606D+01 -0.362545D+01
      3   0.557375D+01  0.374661D+01  0.343507D+01  0.169337D+01  0.134016D+01
               171           172           173           174           175 
      1   0.147414D+01  0.173968D+01 -0.336745D+00  0.274465D+01 -0.890106D+00
      2  -0.536248D+01  0.175951D+01 -0.603808D+00  0.341869D+01 -0.452554D+00
      3   0.287378D+01  0.520869D+00  0.454150D+00 -0.103307D+01  0.133647D+01
               176           177           178           179           180 
      1   0.221017D+01 -0.243629D+01  0.399058D+01 -0.354766D+00  0.168416D+02
      2   0.266410D+01 -0.180533D+01  0.182860D+01 -0.453960D+01  0.179959D+02
      3   0.104379D+01 -0.217327D+01 -0.146661D+01 -0.473663D+01  0.209030D+01
               181           182           183           184           185 
      1  -0.202261D+01 -0.816897D+00 -0.315813D+01 -0.109133D+01 -0.230860D+01
      2  -0.146339D+01 -0.520614D+00 -0.231904D+00 -0.260640D+00 -0.147399D+01
      3   0.151410D+02  0.137449D+02  0.303002D+01  0.108611D+02  0.175070D+02
               186           187           188           189           190 
      1  -0.403562D+01 -0.901712D+00 -0.139993D+01 -0.587914D+00 -0.515922D+01
      2  -0.111650D+01 -0.155212D+01 -0.251142D+01 -0.236544D+00 -0.602245D+01
      3   0.304686D+01  0.294193D+01  0.411207D+01  0.383915D+01 -0.449380D+01
               191           192           193           194           195 
      1   0.171092D+01  0.524504D+01  0.250979D+01 -0.244269D+01 -0.291703D+01
      2   0.283003D+01  0.734074D+01  0.185041D+01 -0.310131D+01 -0.265100D+01
      3  -0.219821D+01  0.222780D+01  0.188197D+01  0.249919D+01  0.100998D+01
               196           197           198           199           200 
      1   0.442007D+01 -0.142459D+01 -0.336749D+01  0.151560D+00  0.315251D+00
      2   0.497639D+01 -0.340105D+01 -0.454929D+01 -0.220187D+00 -0.497904D+00
      3   0.198602D+01  0.343402D+01 -0.557881D+00  0.109377D+01  0.405800D+00
               201           202           203           204           205 
      1   0.251847D+00  0.441228D+01  0.815086D+00 -0.283014D+01  0.252064D+01
      2   0.112718D-01  0.129275D+01  0.128333D+01 -0.936986D+00 -0.249283D+01
      3  -0.777551D+00  0.315448D+01  0.325177D+00 -0.343770D+00 -0.185920D+01
               206           207           208           209           210 
      1   0.121839D+01  0.337637D+01 -0.865216D+00  0.446167D+00  0.295234D-01
      2  -0.110201D+00  0.256648D+01 -0.109423D+01  0.508212D+00 -0.313076D+00
      3  -0.860265D+00  0.646899D+00 -0.198703D+01 -0.334840D+00 -0.185267D-02
               211           212           213           214           215 
      1   0.170630D+01 -0.193163D+01 -0.223254D+00  0.808880D+00  0.361938D+01
      2   0.193062D+00 -0.380289D+01  0.486092D+01 -0.373355D+01  0.422388D+01
      3   0.351416D+01 -0.341217D+01  0.371692D+01  0.525439D+00  0.426804D+01
               216           217           218           219           220 
      1   0.602473D+00 -0.179394D+00 -0.233272D+01  0.585026D-01  0.124913D+00
      2  -0.999320D+01  0.109701D+01  0.217938D+01 -0.237497D+01  0.492477D+00
      3  -0.490354D+01  0.283172D+01  0.460861D+01 -0.100807D+01  0.231608D+01
               221           222           223           224           225 
      1  -0.120998D+02 -0.518023D+00  0.158363D+01 -0.100275D+01 -0.569822D+00
      2   0.382064D+01 -0.349409D+01 -0.830684D+00 -0.252567D+01  0.194785D+01
      3   0.270527D+02 -0.265651D+01 -0.137178D+01  0.151963D+01  0.271421D+01
               226           227           228           229           230 
      1   0.102245D+01 -0.176101D+01 -0.367749D+01  0.183067D+00  0.202770D+01
      2   0.764338D+01 -0.190582D+01 -0.119412D+02 -0.184946D+01  0.574776D+01
      3  -0.175945D+01  0.192286D+01 -0.393283D-01  0.166900D+01 -0.998955D+00
               231           232           233           234           235 
      1   0.372243D+01 -0.214477D+01  0.348479D+01  0.666297D+01  0.149132D+01
      2   0.854668D+01 -0.805276D+01  0.461044D+01  0.226049D+02 -0.210463D+01
      3  -0.439133D+01  0.169009D+00 -0.305472D+01 -0.288972D+01 -0.476541D+01
               236           237           238           239           240 
      1   0.172344D+01  0.101436D+01  0.836012D+00 -0.214327D+00 -0.195251D+00
      2  -0.323006D+00  0.546555D+01  0.390692D+00  0.479441D+00  0.173914D+01
      3  -0.570961D+01 -0.127540D+01 -0.245053D+01  0.688497D+00 -0.985993D+00
               241           242           243 
      1   0.799307D+00  0.114373D+01  0.951410D+00
      2   0.673164D+00  0.100986D+01  0.273265D+01
      3  -0.169551D+01 -0.921144D+00 -0.159717D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.345609D+01  0.124491D+02  0.170839D+02  0.121371D+02  0.146047D+02
      2   0.827467D+01 -0.951638D+01 -0.164630D+02 -0.959214D+01  0.109826D+01
      3  -0.117308D+02 -0.293273D+01 -0.620987D+00 -0.254495D+01 -0.157029D+02
      4   0.132126D+02  0.342670D+01 -0.718109D+01  0.503955D+01 -0.147665D+02
      5   0.256056D+02 -0.130800D+02 -0.258747D+02 -0.140089D+02  0.402241D+01
      6  -0.146392D+02 -0.819759D+01  0.289976D+01 -0.740024D+01  0.105694D+02
                 6             7             8             9            10 
      1   0.106331D+00  0.131753D+02 -0.285024D+00 -0.160814D+02 -0.196670D+02
      2   0.318111D+01 -0.127461D+02  0.210724D+01 -0.167745D+01  0.166412D+02
      3  -0.328744D+01 -0.429153D+00 -0.182221D+01  0.177589D+02  0.302582D+01
      4   0.976570D+01 -0.729145D+01  0.854966D+01  0.663002D+01 -0.346841D+02
      5   0.465545D+01 -0.242666D+02  0.597475D+01 -0.195645D+01 -0.126195D+02
      6  -0.122949D+02  0.339464D+01 -0.106328D+02 -0.116642D+01  0.883175D+01
                11            12            13            14            15 
      1  -0.192956D+02 -0.868142D+01 -0.234916D+02 -0.219677D+02 -0.964048D+01
      2   0.139072D+02  0.537269D+01  0.167293D+02  0.155303D+01  0.567169D+01
      3   0.538845D+01  0.330873D+01  0.676231D+01  0.204147D+02  0.396879D+01
      4  -0.472781D+01  0.315165D+01 -0.542289D+01  0.222362D+01 -0.135566D+02
      5   0.804541D-01  0.111493D+02  0.181839D+01 -0.918944D+01 -0.608885D+01
      6  -0.191881D+01 -0.225557D+01  0.652412D+00  0.667471D+01  0.473526D+01
                16            17            18            19            20 
      1  -0.122802D+01 -0.867702D+01  0.105132D+02  0.594382D+02  0.106779D+02
      2  -0.448261D+01  0.813752D+01  0.119858D+01 -0.503411D+02 -0.106222D+02
      3   0.571063D+01  0.539497D+00 -0.117118D+02 -0.909712D+01 -0.557721D-01
      4   0.809894D+01 -0.165470D+02 -0.119896D+02  0.180386D+02 -0.121179D+02
      5   0.115414D+02 -0.854592D+01  0.142320D+02 -0.192136D+02 -0.738772D+01
      6  -0.587701D+01  0.421465D+01 -0.582145D+01 -0.217249D+02 -0.566219D+01
                21            22            23            24            25 
      1   0.959259D+00  0.992516D+01  0.998351D+01 -0.122537D+01  0.323853D+01
      2  -0.142333D+01 -0.123666D+02 -0.766421D+01 -0.659771D+01  0.854512D+00
      3   0.464074D+00  0.244148D+01 -0.231930D+01  0.782308D+01 -0.409304D+01
      4  -0.705023D+01 -0.268912D+02 -0.656173D+01  0.269203D+01 -0.128471D+02
      5  -0.107703D+01 -0.116879D+02 -0.492113D+01  0.619979D+01 -0.743572D+01
      6  -0.990543D+00 -0.100116D+02 -0.621532D+01 -0.200353D+01 -0.123648D+01
                26            27            28            29            30 
      1  -0.122945D+01  0.571309D+01 -0.129589D+03 -0.137610D+02  0.600517D+01
      2  -0.769384D+01  0.692597D+01  0.830156D+02  0.780813D+01 -0.504374D+01
      3   0.892329D+01 -0.126391D+02  0.465735D+02  0.595285D+01 -0.961430D+00
      4   0.381569D+01  0.877513D+01 -0.213107D+02 -0.100314D+02  0.503470D+00
      5   0.461475D+01 -0.386248D+01  0.358466D+02  0.272368D+01 -0.116311D+02
      6  -0.806451D+00  0.676068D+01  0.248751D+02  0.591821D+01 -0.140938D+00
                31            32            33            34            35 
      1  -0.401852D+02 -0.263555D+02 -0.540497D+01  0.271894D+02 -0.286857D+01
      2   0.276723D+02  0.205823D+02  0.331532D+01 -0.140345D+02  0.539143D+01
      3   0.125128D+02  0.577326D+01  0.208965D+01 -0.131549D+02 -0.252286D+01
      4  -0.154320D+02 -0.120501D+02 -0.395788D+01  0.393502D+01 -0.298031D+01
      5   0.799449D+01  0.161664D+01 -0.208036D+00 -0.978799D+01  0.222942D+01
      6   0.687369D+01  0.107242D+02  0.416681D+01 -0.300915D+00  0.188509D+01
                36            37            38            39            40 
      1  -0.126213D+02  0.183200D+03  0.318737D+02 -0.165352D+02  0.350112D+02
      2   0.263698D+01 -0.106003D+03 -0.183656D+02  0.111558D+02 -0.167781D+02
      3   0.998433D+01 -0.771972D+02 -0.135081D+02  0.537938D+01 -0.182332D+02
      4   0.139106D+01  0.403876D+02  0.193950D+02  0.320300D+00  0.308419D+02
      5  -0.354048D+00 -0.522825D+02 -0.416092D+01  0.134164D+02 -0.146750D+01
      6   0.504734D+01 -0.245646D+02 -0.656640D+01  0.103721D+01 -0.102630D+02
                41            42            43            44            45 
      1   0.993824D+01 -0.943422D+01 -0.636925D+01 -0.820533D+01  0.105542D+02
      2   0.113155D+01 -0.141135D+01  0.105276D+02  0.332318D+01 -0.540462D+01
      3  -0.110698D+02  0.108456D+02 -0.415834D+01  0.488215D+01 -0.514954D+01
      4   0.721990D+01  0.147102D+01  0.982527D+01  0.549921D+01 -0.976098D+01
      5   0.197338D+01 -0.114220D+02  0.177908D+02 -0.843733D+01  0.614622D+01
      6  -0.249833D+00  0.995870D+00  0.907949D+00  0.384331D+00  0.993404D+01
                46            47            48            49            50 
      1  -0.171602D+03 -0.356780D+02  0.312828D+02 -0.542962D+02 -0.210724D+02
      2   0.900369D+02  0.158691D+02 -0.160962D+02  0.275077D+02  0.110560D+02
      3   0.815647D+02  0.198088D+02 -0.151866D+02  0.267885D+02  0.100164D+02
      4  -0.615779D+02 -0.307686D+02  0.998566D+01 -0.203559D+02 -0.115467D+02
      5   0.638079D+02  0.140742D+02 -0.246309D+02  0.275222D+02  0.966339D+00
      6   0.211778D+02  0.293497D+01 -0.554104D+01 -0.304105D+00  0.664816D+01
                51            52            53            54            55 
      1   0.117289D+02  0.302685D+02  0.107420D+02 -0.158496D+02  0.179418D+03
      2  -0.951244D+01 -0.997666D+01  0.583420D+00  0.118081D+02 -0.912477D+02
      3  -0.221644D+01 -0.202918D+02 -0.113254D+02  0.404149D+01 -0.881707D+02
      4  -0.584431D+00  0.199715D+02 -0.608202D+00  0.410103D+01  0.548769D+02
      5   0.272909D+01 -0.184451D+02  0.514336D+01 -0.904043D+01 -0.608378D+02
      6   0.973006D+00  0.452654D+01 -0.204754D+01  0.450125D+01 -0.107878D+02
                56            57            58            59            60 
      1   0.363017D+02 -0.338864D+02  0.668023D+02  0.309253D+02 -0.633429D+01
      2  -0.134880D+02  0.211754D+02 -0.279914D+02 -0.417509D+01  0.175117D+01
      3  -0.228137D+02  0.127110D+02 -0.388109D+02 -0.267502D+02  0.458312D+01
      4   0.376149D+02 -0.103970D+02  0.604127D+02  0.424505D+02 -0.160360D+02
      5  -0.124532D+02  0.361744D+02 -0.215013D+02 -0.177912D+02  0.120223D+02
      6  -0.499248D+01  0.485348D+01 -0.107732D+02 -0.845249D+01  0.898172D+01
                61            62            63            64            65 
      1  -0.741758D+02 -0.113442D+02  0.263246D+02 -0.287454D+01  0.325759D+02
      2   0.441298D+02  0.456123D+01 -0.233247D+02 -0.130654D+02 -0.264976D+02
      3   0.300460D+02  0.678297D+01 -0.299998D+01  0.159400D+02 -0.607836D+01
      4  -0.229829D+02 -0.138262D+02  0.143484D+02  0.314706D+02 -0.127813D+02
      5   0.597399D+02  0.162703D+02 -0.384081D+02  0.145070D+02 -0.511492D+01
      6   0.111307D+02  0.960159D+01 -0.564605D+01 -0.141551D+02  0.277998D+01
                66            67            68            69            70 
      1   0.166213D+02  0.285968D+02  0.799241D+01  0.810266D+00  0.159036D+02
      2  -0.671326D+01 -0.232828D+02  0.771796D+00 -0.803453D+01 -0.201011D+01
      3  -0.990804D+01 -0.531405D+01 -0.876421D+01  0.722427D+01 -0.138935D+02
      4  -0.144029D+02 -0.731228D+01 -0.139250D+02  0.105017D+02 -0.185410D+02
      5  -0.105687D+02 -0.497913D+01  0.104442D+02  0.592180D+01 -0.135107D+02
      6   0.814278D+01  0.381506D+01 -0.104172D+02 -0.481062D+01  0.119010D+02
                71            72            73            74            75 
      1  -0.121054D+01 -0.717633D+01 -0.649234D+01 -0.887860D+01 -0.189517D+01
      2  -0.999672D+01  0.614457D+01  0.394106D+01  0.321498D+01  0.750843D+01
      3   0.112073D+02  0.103176D+01  0.255129D+01  0.566361D+01 -0.561327D+01
      4   0.123042D+02  0.167714D+02 -0.885467D+01  0.529298D+01  0.167744D+02
      5   0.106554D+02 -0.285402D+02  0.627761D+01  0.169961D+02 -0.211416D+02
      6  -0.586331D+01  0.201443D+02  0.302077D+01  0.847656D+01  0.221597D+00
                76            77            78            79            80 
      1  -0.106285D+02  0.213198D+02  0.276618D+02  0.209116D+01  0.283231D+02
      2   0.531636D+01 -0.930656D+01 -0.155026D+02  0.886596D+01 -0.162530D+02
      3   0.531216D+01 -0.120132D+02 -0.121592D+02 -0.109571D+02 -0.120701D+02
      4   0.139210D+02  0.148346D+02  0.120690D+02  0.294713D+02  0.165075D+02
      5   0.274420D+02  0.834132D+01  0.647822D+01 -0.296353D+02  0.444126D+01
      6   0.838355D+01  0.173338D+01 -0.711365D+00 -0.163807D+01 -0.251129D+00
                81            82            83            84            85 
      1  -0.229288D+02 -0.347656D+02  0.344315D+01  0.942215D+01  0.315565D+01
      2   0.161098D+02  0.326401D+02  0.882037D+01 -0.815437D+01  0.945935D+01
      3   0.681900D+01  0.212548D+01 -0.122635D+02 -0.126777D+01 -0.126150D+02
      4   0.246556D+00  0.172253D+02  0.165019D+02  0.446844D+00  0.216426D+02
      5  -0.107753D+02  0.115214D+02  0.291175D+01  0.238390D+01  0.286726D+01
      6   0.476467D+01  0.170965D+02 -0.273114D+00  0.621969D-01  0.205941D+01
                86            87            88            89            90 
      1   0.731212D+01 -0.449291D+01  0.213977D+02 -0.313742D+00  0.213908D+02
      2  -0.129283D+01  0.125009D+02 -0.180685D+02  0.114795D+02 -0.171199D+02
      3  -0.601929D+01 -0.800797D+01 -0.332915D+01 -0.111657D+02 -0.427094D+01
      4   0.335950D+01 -0.447866D+01 -0.144502D+01 -0.796570D+01 -0.136208D+02
      5   0.297790D+01 -0.118764D+02 -0.361465D+00 -0.164241D+02 -0.685223D+01
      6   0.591763D+00 -0.158225D+02 -0.492813D+01 -0.251863D+02 -0.169164D+02
                91            92            93            94            95 
      1  -0.564283D+02  0.374147D+00 -0.320888D+02 -0.960514D+01  0.220381D+02
      2   0.350242D+02 -0.612263D+01  0.794252D+01  0.265160D+01 -0.229715D+02
      3   0.214041D+02  0.574848D+01  0.241463D+02  0.695355D+01  0.933369D+00
      4   0.148020D+01  0.152431D+02  0.717348D+00  0.112195D+02  0.254264D+02
      5  -0.296545D+02 -0.147409D+01  0.947536D+01 -0.681548D+01  0.302597D+01
      6  -0.331020D+00  0.508671D+01 -0.140508D+00  0.393946D+01  0.759726D+01
                96            97            98            99           100 
      1   0.347526D+01 -0.190648D+02  0.517463D+01  0.185050D+02  0.392073D+02
      2   0.787148D+01  0.324923D+01  0.314090D+00 -0.373078D+01 -0.254846D+02
      3  -0.113467D+02  0.158156D+02 -0.548872D+01 -0.147742D+02 -0.137227D+02
      4   0.544095D+00 -0.324026D+01  0.487480D+01 -0.144396D+02  0.184513D+01
      5  -0.142310D+02  0.139816D+02 -0.119151D+02  0.409579D+01  0.267173D+02
      6   0.196417D+01 -0.213715D+01  0.523619D+01 -0.889285D+01  0.101284D+00
               101           102           103           104           105 
      1  -0.162112D+01  0.178234D+02 -0.988137D+01  0.372739D+01 -0.757539D+01
      2   0.165681D+01 -0.136666D+02  0.706149D+01 -0.314951D+01  0.604352D+01
      3  -0.356890D-01 -0.415681D+01  0.281987D+01 -0.577882D+00  0.153188D+01
      4   0.601251D+01 -0.159032D+01  0.800204D+01 -0.664993D+01  0.504275D+01
      5  -0.379261D+01  0.221973D+02 -0.105222D+02  0.683564D+01 -0.850831D+01
      6   0.969106D+00  0.131229D+01  0.205892D+01 -0.167581D+01  0.342019D+01
               106           107           108           109           110 
      1   0.262080D+02 -0.530672D+01  0.177858D+02  0.537628D+02  0.158618D+02
      2  -0.221327D+02  0.492120D+01 -0.211814D+02 -0.247248D+02 -0.495354D+01
      3  -0.407536D+01  0.385522D+00  0.339552D+01 -0.290380D+02 -0.109083D+02
      4  -0.258325D+01  0.719039D+01 -0.228519D+00  0.284747D+02  0.160311D+02
      5   0.341767D+02 -0.310493D+01  0.364729D+02 -0.181077D+02 -0.764784D+01
      6   0.150763D+01  0.375777D+01  0.202490D+01 -0.674889D+01 -0.339569D+01
               111           112           113           114           115 
      1  -0.148061D+02  0.160917D+02  0.725030D+01 -0.680867D+01 -0.280196D+02
      2   0.665095D+01 -0.396359D+01  0.192576D+01  0.222952D+01  0.129153D+02
      3   0.815517D+01 -0.121281D+02 -0.917606D+01  0.457916D+01  0.151043D+02
      4  -0.103370D+02  0.203419D+02  0.169972D+02 -0.940523D+01 -0.192453D+02
      5   0.161894D+02 -0.907859D+01 -0.790339D+01  0.583514D+01  0.251696D+02
      6   0.392786D+01 -0.468031D+01 -0.336299D+01  0.458340D+01  0.763020D+01
               116           117           118           119           120 
      1  -0.103647D+02  0.161628D+02  0.716397D+00 -0.875608D+00  0.198857D+01
      2   0.333645D+01 -0.105513D+02 -0.361262D+01  0.433187D+00 -0.292723D+00
      3   0.702821D+01 -0.561145D+01  0.289622D+01  0.442421D+00 -0.169585D+01
      4  -0.151949D+02  0.110705D+02 -0.199711D+01  0.283570D+01 -0.798859D-01
      5   0.798612D+01 -0.196131D+02  0.158430D+01 -0.960930D+00  0.580911D+01
      6   0.522706D+01 -0.739325D+01 -0.181040D+01  0.666982D-01  0.396940D+00
               121           122           123           124           125 
      1   0.101229D+01 -0.669032D+01  0.663098D+01  0.320020D+00  0.469273D+01
      2  -0.722797D-01  0.162078D+01  0.646545D+00 -0.956782D+00  0.251781D+01
      3  -0.940011D+00  0.506954D+01 -0.727753D+01  0.636761D+00 -0.721054D+01
      4   0.310839D+01 -0.298760D+01  0.276474D+01 -0.159270D+00  0.440284D+01
      5  -0.140990D+01  0.225000D+01 -0.393635D+01  0.522473D+01 -0.292958D+01
      6   0.527737D+00 -0.515315D+01  0.704616D+01 -0.322452D+00  0.586377D+01
               126           127           128           129           130 
      1  -0.191827D+02 -0.147921D+01  0.727680D+01 -0.336073D+01  0.555829D+01
      2  -0.100598D+02  0.351508D+01 -0.101861D+02  0.355403D+01 -0.571190D+01
      3   0.292426D+02 -0.203588D+01  0.290930D+01 -0.193304D+00  0.153609D+00
      4  -0.401778D+01 -0.194685D+01  0.151148D+01 -0.211088D+01  0.356079D+01
      5   0.105909D+02 -0.175720D+01  0.377775D+00 -0.364777D+00  0.547585D+00
      6  -0.586339D+01 -0.444963D+01  0.115976D+01 -0.218219D+01  0.373390D+00
               131           132           133           134           135 
      1  -0.233753D+02  0.658979D+01 -0.671215D+01  0.122290D+02 -0.115169D+02
      2   0.359531D+02 -0.115912D+02  0.451509D+01 -0.203292D+02  0.126793D+02
      3  -0.125778D+02  0.500142D+01  0.219706D+01  0.810016D+01 -0.116245D+01
      4   0.122079D+02 -0.342348D+01 -0.421511D+01 -0.690364D+01  0.474015D+01
      5  -0.551352D+01  0.538781D+01 -0.377622D+00  0.710673D+01 -0.617145D+01
      6  -0.672290D+01  0.952995D+01 -0.613868D+00  0.116906D+02 -0.824239D+01
               136           137           138           139           140 
      1   0.374925D+01  0.453686D+01  0.369994D+01  0.243681D+01 -0.200138D+02
      2  -0.419787D+01 -0.331499D+01 -0.141959D+01 -0.158717D+01  0.190580D+02
      3   0.448618D+00 -0.122187D+01 -0.228035D+01 -0.849639D+00  0.955775D+00
      4   0.490592D+01  0.537707D+01  0.528040D+01  0.624667D+01  0.154219D+02
      5   0.387482D+01  0.387116D+01  0.610960D+01  0.337391D+01  0.106939D+02
      6   0.449210D+01  0.232218D+00  0.277571D+00  0.320872D+01  0.225357D+02
               141           142           143           144           145 
      1  -0.129837D+02 -0.946208D+00 -0.209269D+02 -0.270703D+02 -0.287396D+01
      2   0.888833D+01  0.107181D+01  0.112653D+02  0.542477D+01 -0.518453D+00
      3   0.409539D+01 -0.125604D+00  0.966161D+01  0.216455D+02  0.339241D+01
      4   0.105393D+02  0.923847D+01  0.152446D+02  0.149809D+02  0.130875D+01
      5   0.102760D+02  0.970585D+01  0.170805D+02  0.222745D+02 -0.202361D+01
      6   0.208376D+02  0.660972D+01  0.299397D+02  0.346595D+02 -0.223981D+01
               146           147           148           149           150 
      1   0.298172D+01 -0.557754D+01  0.342655D+01 -0.132125D+02  0.967535D+01
      2  -0.420874D+00  0.148464D+01 -0.151207D+01  0.535399D+01  0.337940D+01
      3  -0.256085D+01  0.409291D+01 -0.191448D+01  0.785847D+01 -0.130548D+02
      4  -0.601361D-01  0.765011D+00  0.259273D+00  0.183946D+02 -0.776679D+01
      5  -0.110726D+01  0.388287D+01 -0.348206D+01 -0.499410D+01  0.796597D+01
      6   0.415518D+01 -0.219725D+01  0.308094D+01 -0.223040D+02  0.128174D+02
               151           152           153           154           155 
      1  -0.307608D+01  0.680658D+01 -0.705372D+01  0.244315D+02 -0.430418D+01
      2   0.136450D+01  0.145922D+01 -0.267176D+01 -0.227083D+02  0.330588D+01
      3   0.171158D+01 -0.826580D+01  0.972548D+01 -0.172323D+01  0.998298D+00
      4   0.433350D+00 -0.504551D+01  0.490375D+01 -0.122563D+02  0.917447D+01
      5   0.415079D+01  0.347789D+01 -0.399502D+01 -0.391286D+02  0.951053D+01
      6  -0.165391D+01  0.108124D+02 -0.815270D+01  0.848165D+01 -0.619354D+01
               156           157           158           159           160 
      1  -0.858326D+01 -0.468626D+01  0.408638D+00 -0.756987D+00 -0.646858D+01
      2   0.180874D+02  0.362508D+01 -0.199515D+01 -0.310296D+01  0.146067D+02
      3  -0.950416D+01  0.106118D+01  0.158651D+01  0.385995D+01 -0.813815D+01
      4   0.749810D+01  0.893679D+01 -0.567174D+01 -0.781453D+01  0.551268D+01
      5   0.336536D+02  0.998855D+01 -0.896274D+01 -0.910041D+01  0.265372D+02
      6  -0.651345D+01 -0.592220D+01  0.461126D+01  0.856276D+01 -0.516639D+01
               161           162           163           164           165 
      1  -0.436669D+00  0.173727D+01 -0.117094D+02 -0.973016D+01 -0.136960D+02
      2  -0.232401D+01 -0.160330D+02  0.249234D+01  0.519895D+01  0.536205D+00
      3   0.276068D+01  0.142957D+02  0.921704D+01  0.453121D+01  0.131598D+02
      4  -0.473061D+01 -0.673709D+01  0.154480D+00 -0.117833D+01  0.194482D+00
      5  -0.674677D+01 -0.281433D+02  0.767578D+01  0.474833D+01  0.388346D+01
      6   0.625724D+01  0.724910D+01  0.864254D+01  0.927289D+01  0.656770D+01
               166           167           168           169           170 
      1  -0.857761D+01 -0.137366D+02 -0.993159D+01 -0.745377D+01 -0.585856D+01
      2   0.504895D+01  0.801334D+01  0.342108D+00  0.477868D+00 -0.233968D+00
      3   0.352866D+01  0.572325D+01  0.958948D+01  0.697591D+01  0.609253D+01
      4   0.786539D-01 -0.204930D+01 -0.330896D+01  0.514292D+00 -0.172567D+01
      5   0.654670D+01  0.137672D+01 -0.196157D+01  0.600487D+01 -0.118915D+00
      6   0.689936D+01  0.106779D+02  0.105178D+02  0.381321D+01  0.730929D+01
               171           172           173           174           175 
      1  -0.980665D+01  0.497015D+01 -0.494074D+01  0.412121D+01 -0.119436D+01
      2  -0.157384D+01 -0.188683D+01  0.259423D+01 -0.304918D+01  0.407625D+00
      3   0.113805D+02 -0.308331D+01  0.234651D+01 -0.107203D+01  0.786739D+00
      4  -0.169512D+01 -0.854193D+01  0.577533D+01 -0.446625D+01  0.387404D+01
      5   0.699636D+00  0.697758D+01 -0.253049D+01  0.105342D+02 -0.146006D+01
      6   0.713223D+01 -0.355034D+01  0.179345D+01 -0.498353D+01  0.224447D+01
               176           177           178           179           180 
      1  -0.344815D+01  0.324310D+01  0.436387D+01  0.463874D+01 -0.541861D+01
      2   0.267165D+01 -0.434417D+01 -0.356580D+01 -0.613920D+01 -0.755426D+01
      3   0.776500D+00  0.110107D+01 -0.798065D+00  0.150045D+01  0.129729D+02
      4  -0.254161D+01  0.630313D+01 -0.850101D+01  0.120960D+02 -0.141545D+02
      5   0.589599D+01 -0.417124D+01  0.153861D+02 -0.110656D+02  0.385035D+02
      6  -0.542970D+01  0.861789D+01 -0.899881D+01  0.131089D+02 -0.301347D+02
               181           182           183           184           185 
      1  -0.146506D+02 -0.238034D+02 -0.544112D+01 -0.150195D+02 -0.273758D+02
      2   0.152761D+02  0.278350D+02  0.395793D+01  0.155458D+02  0.366944D+02
      3  -0.625522D+00 -0.403168D+01  0.148319D+01 -0.526356D+00 -0.931860D+01
      4   0.534563D+01 -0.559717D+00  0.274105D+01  0.497339D+01 -0.681720D+01
      5  -0.335189D+01 -0.540036D+00 -0.110592D+01 -0.687666D+00 -0.322730D+01
      6   0.325257D+01  0.127779D+01  0.498956D+01  0.924796D+00  0.355095D+01
               186           187           188           189           190 
      1  -0.420681D+01 -0.560989D+01 -0.539243D+01 -0.600716D+01  0.438045D+02
      2   0.555995D+01  0.299544D+01  0.802098D+01  0.520777D+01 -0.114419D+02
      3  -0.135315D+01  0.261446D+01 -0.262855D+01  0.799384D+00 -0.323626D+02
      4  -0.153540D+01  0.380968D+01 -0.405318D+01 -0.210415D+01 -0.464119D+02
      5  -0.297370D+01  0.962563D+00 -0.357947D+01  0.872073D+00 -0.146274D+02
      6   0.615070D+01  0.209717D+01  0.739424D+01  0.168216D+01  0.933516D+01
               191           192           193           194           195 
      1  -0.160348D+02 -0.120706D+02 -0.115291D+02  0.479288D+01  0.117372D+01
      2  -0.131708D+01  0.444247D+01 -0.170193D+01  0.754101D+01  0.333521D+01
      3   0.173518D+02  0.762814D+01  0.132310D+02 -0.123339D+02 -0.450894D+01
      4   0.304779D+02  0.127486D+02  0.233531D+02 -0.202905D+02 -0.857229D+01
      5   0.593066D+01  0.129996D+02  0.523189D+01 -0.617305D+01 -0.432564D+01
      6  -0.497610D+01 -0.867135D+01 -0.406009D+01  0.573888D+01  0.500545D+01
               196           197           198           199           200 
      1  -0.150356D+02  0.267397D+01  0.742259D+01 -0.157911D+01 -0.171489D+01
      2   0.402646D+01  0.507968D+01 -0.323849D+01  0.185816D+01  0.145340D+01
      3   0.110091D+02 -0.775365D+01 -0.418409D+01 -0.279054D+00  0.261494D+00
      4   0.193303D+02 -0.157997D+02 -0.134648D+02 -0.155348D+01  0.181391D+01
      5   0.149802D+02 -0.839094D+01 -0.995649D+01  0.245210D+01 -0.147849D+01
      6  -0.102755D+02  0.745199D+01  0.673358D+01 -0.240671D+00  0.395011D+00
               201           202           203           204           205 
      1   0.150401D+01 -0.207314D+01 -0.320866D+01  0.559060D+01  0.278090D+01
      2  -0.108908D+01 -0.156257D+01  0.348797D+01 -0.323810D+01 -0.264990D+01
      3  -0.414932D+00  0.363571D+01 -0.279315D+00 -0.235249D+01 -0.130999D+00
      4  -0.217448D+01  0.150381D+01 -0.200507D+01  0.318614D+01 -0.260846D+01
      5   0.391802D+01 -0.133622D+01  0.147248D+01 -0.272930D+01  0.364666D+01
      6  -0.444344D+00  0.226379D+00 -0.456157D+01  0.400471D+01 -0.461369D+00
               206           207           208           209           210 
      1   0.589822D+01 -0.681352D+01 -0.141223D+00  0.238742D+01 -0.381078D+01
      2  -0.484580D+01  0.116869D+01 -0.137105D+01 -0.115633D+01  0.926975D+00
      3  -0.105242D+01  0.564483D+01  0.151227D+01 -0.123109D+01  0.288381D+01
      4   0.380890D+01 -0.451577D+01  0.206205D+01  0.226813D+01 -0.201300D+01
      5  -0.369699D+01  0.559226D+01 -0.300233D+01 -0.224176D+01  0.450656D+01
      6   0.422747D+01 -0.668386D+01 -0.270062D+01  0.368473D+00  0.640429D-02
               211           212           213           214           215 
      1   0.272964D+01 -0.921356D+01  0.975319D+01 -0.278947D+01  0.945946D+01
      2  -0.356173D+01  0.401635D+01 -0.102841D+01  0.149230D+01 -0.233487D+01
      3   0.832091D+00  0.519721D+01 -0.872478D+01  0.129717D+01 -0.712460D+01
      4   0.504087D+00  0.539357D+01 -0.532701D+01 -0.269820D+01 -0.537234D+01
      5  -0.363633D+01 -0.643242D+01  0.936146D+01  0.331126D+01  0.760414D+01
      6  -0.108717D+00 -0.792603D+01  0.812259D+01  0.164737D+01  0.873886D+01
               216           217           218           219           220 
      1  -0.208910D+02  0.344362D+01 -0.960275D+01  0.470542D+01 -0.103762D+02
      2  -0.319574D+01  0.581048D+00  0.782034D+01 -0.827259D+00  0.489359D+01
      3   0.240868D+02 -0.402466D+01  0.178241D+01 -0.387816D+01  0.548261D+01
      4   0.652667D+01 -0.403281D+01 -0.287100D+01  0.104396D+01  0.707280D+01
      5  -0.180810D+02  0.104486D+01 -0.662599D+00 -0.349553D+01 -0.604401D+01
      6  -0.110176D+02 -0.164915D+01 -0.286567D+01  0.152704D+01  0.147393D+01
               221           222           223           224           225 
      1  -0.215191D+02  0.137211D+01  0.279236D+01  0.100840D+01 -0.663127D+01
      2   0.337874D+02 -0.584397D+00 -0.100901D+01  0.225772D+01  0.357962D+01
      3  -0.122683D+02 -0.787712D+00 -0.178335D+01 -0.326612D+01  0.305165D+01
      4  -0.468369D+02  0.590769D+01  0.176104D+01 -0.232756D+01 -0.397871D+01
      5   0.344741D+01 -0.910295D+01 -0.527410D+00 -0.417800D+01  0.673789D+00
      6  -0.160597D+02  0.725505D+01 -0.734018D-02  0.523935D+01 -0.100346D+01
               226           227           228           229           230 
      1  -0.537869D+01  0.415251D+01  0.173944D+02  0.548192D+01 -0.986985D+01
      2  -0.206625D+01 -0.263846D+00  0.126753D-01 -0.212171D+01  0.367658D+01
      3   0.744494D+01 -0.388866D+01 -0.174071D+02 -0.336022D+01  0.619327D+01
      4   0.421810D+01 -0.537168D+01 -0.103775D+01 -0.221518D+01  0.219203D+01
      5   0.186612D+01  0.982438D+00 -0.833282D+01  0.262582D+01  0.473881D+01
      6   0.159722D+01 -0.349842D+01 -0.417846D+00 -0.181117D+01  0.324877D+01
               231           232           233           234           235 
      1  -0.669473D+01  0.170882D+02 -0.542067D+01 -0.256276D+02  0.843334D+02
      2  -0.383882D+01 -0.522548D+01 -0.163493D+01 -0.971195D+01 -0.469773D+02
      3   0.105336D+02 -0.118627D+02  0.705559D+01  0.353395D+02 -0.373561D+02
      4   0.642922D+01 -0.352238D+01  0.686392D+01  0.658692D+01 -0.134893D+02
      5   0.107518D+02  0.143982D+01  0.443811D+01  0.270899D+02  0.421343D+02
      6   0.655349D+01 -0.119809D+01  0.520811D+01  0.237102D+01 -0.131229D+01
               236           237           238           239           240 
      1  -0.351913D+01  0.215371D+02  0.361224D+01  0.716382D+01  0.550838D+00
      2   0.740950D+00 -0.154277D+02 -0.298031D+01 -0.223434D+01 -0.167364D+01
      3   0.277818D+01 -0.610948D+01 -0.631928D+00 -0.492948D+01  0.112280D+01
      4   0.121189D+02 -0.363852D+01  0.112621D+02 -0.307226D+01  0.383739D+01
      5  -0.188226D+01  0.233053D+02  0.215841D+01  0.502914D+01  0.305080D+01
      6   0.365301D+01 -0.174383D+01  0.387894D+01 -0.679835D+00  0.216601D+01
               241           242           243 
      1   0.132739D+02 -0.934273D+00  0.103240D+02
      2  -0.110921D+02 -0.984112D-01 -0.100985D+02
      3  -0.218178D+01  0.103268D+01 -0.225441D+00
      4  -0.202108D+01  0.192288D+01 -0.365182D+00
      5   0.191235D+02  0.460569D+00  0.137928D+02
      6  -0.200102D+01  0.164198D+01 -0.378230D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 20:20:47 2021, MaxMem=  6442450944 cpu:           14535.7 elap:            1821.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.45032 -10.53257 -10.46699 -10.45974 -10.45243
 Alpha  occ. eigenvalues --  -10.44882 -10.44561 -10.44160 -10.43947 -10.43618
 Alpha  occ. eigenvalues --  -10.43124  -1.16609  -1.01393  -0.93934  -0.88661
 Alpha  occ. eigenvalues --   -0.86901  -0.82634  -0.81025  -0.74339  -0.72405
 Alpha  occ. eigenvalues --   -0.66847  -0.63928  -0.60573  -0.60267  -0.58594
 Alpha  occ. eigenvalues --   -0.56979  -0.56187  -0.55508  -0.53637  -0.52348
 Alpha  occ. eigenvalues --   -0.50893  -0.50418  -0.49412  -0.48149  -0.47638
 Alpha  occ. eigenvalues --   -0.46936  -0.46108  -0.42712  -0.41863  -0.40740
 Alpha  occ. eigenvalues --   -0.36446  -0.36233
 Alpha virt. eigenvalues --    0.01809   0.03991   0.05564   0.06297   0.06596
 Alpha virt. eigenvalues --    0.08142   0.08880   0.09132   0.10754   0.11377
 Alpha virt. eigenvalues --    0.11941   0.12096   0.13427   0.13677   0.14707
 Alpha virt. eigenvalues --    0.15668   0.15740   0.16174   0.16829   0.17199
 Alpha virt. eigenvalues --    0.17450   0.18058   0.19838   0.20549   0.21053
 Alpha virt. eigenvalues --    0.21691   0.21868   0.22049   0.23145   0.23713
 Alpha virt. eigenvalues --    0.23925   0.24527   0.25614   0.26197   0.27138
 Alpha virt. eigenvalues --    0.27585   0.28042   0.29323   0.29805   0.30060
 Alpha virt. eigenvalues --    0.30928   0.31835   0.32146   0.32582   0.33070
 Alpha virt. eigenvalues --    0.33152   0.33672   0.34339   0.34685   0.35435
 Alpha virt. eigenvalues --    0.35661   0.36693   0.36748   0.37092   0.37495
 Alpha virt. eigenvalues --    0.37806   0.38143   0.38271   0.38679   0.39051
 Alpha virt. eigenvalues --    0.39758   0.40362   0.40431   0.40836   0.40949
 Alpha virt. eigenvalues --    0.41486   0.42127   0.42611   0.43085   0.43562
 Alpha virt. eigenvalues --    0.43894   0.44364   0.45014   0.45558   0.45627
 Alpha virt. eigenvalues --    0.45806   0.46493   0.46822   0.47005   0.47607
 Alpha virt. eigenvalues --    0.47989   0.48399   0.48899   0.49809   0.50196
 Alpha virt. eigenvalues --    0.50358   0.51116   0.51588   0.51710   0.52291
 Alpha virt. eigenvalues --    0.52854   0.53243   0.53401   0.54106   0.54776
 Alpha virt. eigenvalues --    0.55315   0.55694   0.55751   0.56839   0.57202
 Alpha virt. eigenvalues --    0.57504   0.58366   0.58676   0.58895   0.59783
 Alpha virt. eigenvalues --    0.60017   0.60861   0.61065   0.61906   0.62082
 Alpha virt. eigenvalues --    0.62869   0.63601   0.63964   0.64684   0.65529
 Alpha virt. eigenvalues --    0.65834   0.66441   0.67378   0.67495   0.68178
 Alpha virt. eigenvalues --    0.69259   0.69843   0.70152   0.71205   0.71927
 Alpha virt. eigenvalues --    0.72014   0.72803   0.73113   0.73912   0.74993
 Alpha virt. eigenvalues --    0.75885   0.77103   0.77672   0.78561   0.78797
 Alpha virt. eigenvalues --    0.80101   0.81652   0.82443   0.82599   0.83437
 Alpha virt. eigenvalues --    0.84126   0.84648   0.85913   0.88853   0.89195
 Alpha virt. eigenvalues --    0.91675   0.96928   0.98020   0.99798   1.01311
 Alpha virt. eigenvalues --    1.02316   1.02943   1.03566   1.04265   1.04960
 Alpha virt. eigenvalues --    1.05533   1.06613   1.07084   1.07456   1.08147
 Alpha virt. eigenvalues --    1.09082   1.09376   1.10166   1.10676   1.11233
 Alpha virt. eigenvalues --    1.11551   1.14322   1.14501   1.15664   1.17977
 Alpha virt. eigenvalues --    1.19353   1.20417   1.23056   1.23587   1.24096
 Alpha virt. eigenvalues --    1.26255   1.27373   1.28012   1.29534   1.30522
 Alpha virt. eigenvalues --    1.32118   1.34228   1.35043   1.35934   1.36751
 Alpha virt. eigenvalues --    1.37885   1.38843   1.41979   1.42981   1.44292
 Alpha virt. eigenvalues --    1.44700   1.46794   1.47721   1.48255   1.53881
 Alpha virt. eigenvalues --    1.55000   1.58479   1.58687   1.60437   1.62353
 Alpha virt. eigenvalues --    1.63147   1.65451   1.66650   1.67919   1.70065
 Alpha virt. eigenvalues --    1.70563   1.71473   1.73773   1.74991   1.77706
 Alpha virt. eigenvalues --    1.79148   1.79697   1.82356   1.83459   1.84632
 Alpha virt. eigenvalues --    1.86707   1.87473   1.88614   1.89927   1.92044
 Alpha virt. eigenvalues --    1.93491   1.94639   1.95064   1.96045   1.97158
 Alpha virt. eigenvalues --    1.98036   2.00113   2.01717   2.02248   2.05391
 Alpha virt. eigenvalues --    2.06126   2.07047   2.08018   2.08826   2.09202
 Alpha virt. eigenvalues --    2.09859   2.11943   2.13572   2.13861   2.13875
 Alpha virt. eigenvalues --    2.16428   2.16815   2.19199   2.20855   2.21615
 Alpha virt. eigenvalues --    2.23366   2.25116   2.27312   2.27694   2.28646
 Alpha virt. eigenvalues --    2.30423   2.31229   2.31432   2.34249   2.34438
 Alpha virt. eigenvalues --    2.35204   2.37025   2.38359   2.39621   2.41884
 Alpha virt. eigenvalues --    2.44737   2.45976   2.47547   2.49306   2.50709
 Alpha virt. eigenvalues --    2.53797   2.54957   2.56069   2.57932   2.61144
 Alpha virt. eigenvalues --    2.62151   2.62848   2.63927   2.66507   2.67460
 Alpha virt. eigenvalues --    2.69952   2.71891   2.74052   2.76492   2.76787
 Alpha virt. eigenvalues --    2.78720   2.81092   2.82486   2.84155   2.88421
 Alpha virt. eigenvalues --    2.94434   2.97986   2.99962   3.01707   3.02422
 Alpha virt. eigenvalues --    3.05368   3.08243   3.10282   3.12479   3.14890
 Alpha virt. eigenvalues --    3.15447   3.19780   3.21274   3.22710   3.23381
 Alpha virt. eigenvalues --    3.24648   3.28415   3.29171   3.29401   3.32164
 Alpha virt. eigenvalues --    3.35904   3.48443   3.55679   3.90566
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.983825  -0.377016   0.082692  -0.158233  -0.019346   0.001922
     2  C   -0.377016  11.119435  -0.657103   0.202027   0.020966   0.002685
     3  C    0.082692  -0.657103   7.434995  -0.644705  -0.505915   0.178973
     4  C   -0.158233   0.202027  -0.644705   8.041238  -0.212853   0.036257
     5  C   -0.019346   0.020966  -0.505915  -0.212853  10.252340  -1.353985
     6  C    0.001922   0.002685   0.178973   0.036257  -1.353985   6.580546
     7  O   -0.000005   0.000586   0.009621   0.114389  -0.259007   0.699896
     8  C   -0.152732  -0.645948  -0.006749   0.008234   0.031429   0.000291
     9  C   -0.008042  -0.392696   0.173180   0.006448  -0.007799  -0.000541
    10  C   -0.044364   0.242294   0.150876  -0.099546   0.101617  -0.001606
    11  C   -0.001097  -0.000043   0.003083  -0.088892  -0.026836   0.493167
    12  H    0.070656   0.028213   0.086652  -0.009515  -0.001343   0.000065
    13  H   -0.106824  -0.156050   0.024147  -0.006125   0.000861  -0.000017
    14  H    0.056778  -0.168686  -0.612095  -0.402012  -0.600443   0.040539
    15  H    0.017840   0.115056  -0.004007  -0.128247   0.010183   0.002090
    16  H   -0.010060  -0.077448   0.051157   0.027269   0.007993  -0.000146
    17  H    0.259436   0.344536  -0.099665   0.021446  -0.013504   0.000018
    18  H   -0.009634   0.106616   0.007180  -0.005883   0.003464   0.000112
    19  H   -0.110239   0.195016  -0.010913   0.028655   0.008254   0.000433
    20  H   -0.001616  -0.087285  -0.037411  -0.003444   0.011851   0.000096
    21  H    0.000873   0.191516   0.017985   0.003987  -0.006208   0.000606
    22  H    0.029015   0.181052   0.027778   0.000909  -0.001401  -0.000024
    23  H    0.012695  -0.137151  -0.240157  -0.274419  -1.113133   0.002200
    24  H   -0.000607  -0.009084  -0.104840  -0.351064   0.408706  -0.387162
    25  H   -0.000286  -0.000161   0.002043  -0.009620  -0.075678   0.074454
    26  H    0.000811  -0.000149   0.003245   0.003208  -0.080105   0.062586
    27  H    0.000003  -0.000110  -0.000351   0.014294   0.049171   0.118250
               7          8          9         10         11         12
     1  C   -0.000005  -0.152732  -0.008042  -0.044364  -0.001097   0.070656
     2  C    0.000586  -0.645948  -0.392696   0.242294  -0.000043   0.028213
     3  C    0.009621  -0.006749   0.173180   0.150876   0.003083   0.086652
     4  C    0.114389   0.008234   0.006448  -0.099546  -0.088892  -0.009515
     5  C   -0.259007   0.031429  -0.007799   0.101617  -0.026836  -0.001343
     6  C    0.699896   0.000291  -0.000541  -0.001606   0.493167   0.000065
     7  O    7.679629  -0.000252  -0.000074  -0.000898  -0.030028  -0.000000
     8  C   -0.000252   5.548752  -0.108048   0.077403   0.000126  -0.096682
     9  C   -0.000074  -0.108048   5.119625   0.008725   0.000145   0.107764
    10  C   -0.000898   0.077403   0.008725   4.976383   0.000428  -0.108349
    11  C   -0.030028   0.000126   0.000145   0.000428   4.464560  -0.000015
    12  H   -0.000000  -0.096682   0.107764  -0.108349  -0.000015   1.314469
    13  H   -0.000001   0.101205   0.197379   0.095334   0.000016  -0.448547
    14  H    0.009292  -0.257814   0.078016  -0.463173  -0.000727   0.033745
    15  H   -0.000239  -0.007423  -0.043989   0.192326  -0.000813   0.095216
    16  H   -0.000111   0.002468   0.040505   0.341747   0.000109  -0.150035
    17  H    0.000038  -0.029480  -0.050194  -0.033974  -0.000158   0.003354
    18  H   -0.000016   0.045156   0.009301   0.014913   0.000043  -0.002514
    19  H   -0.000252   0.003306   0.013986  -0.000967   0.000489  -0.004408
    20  H   -0.000085   0.563774  -0.047112   0.034213  -0.000018  -0.018698
    21  H    0.000006  -0.047296   0.006040  -0.013064   0.000046   0.002944
    22  H    0.000007  -0.086248   0.054431  -0.016583   0.000001  -0.010841
    23  H    0.033300  -0.019016   0.003361  -0.079675  -0.072040   0.000140
    24  H   -0.100618   0.002427   0.000670   0.002220   0.000450  -0.000069
    25  H    0.004877   0.000032   0.000048   0.000051   0.251589  -0.000000
    26  H    0.009173  -0.000039   0.000066  -0.000003   0.249701   0.000001
    27  H   -0.036545   0.000002   0.000008  -0.000042   0.336108   0.000000
              13         14         15         16         17         18
     1  C   -0.106824   0.056778   0.017840  -0.010060   0.259436  -0.009634
     2  C   -0.156050  -0.168686   0.115056  -0.077448   0.344536   0.106616
     3  C    0.024147  -0.612095  -0.004007   0.051157  -0.099665   0.007180
     4  C   -0.006125  -0.402012  -0.128247   0.027269   0.021446  -0.005883
     5  C    0.000861  -0.600443   0.010183   0.007993  -0.013504   0.003464
     6  C   -0.000017   0.040539   0.002090  -0.000146   0.000018   0.000112
     7  O   -0.000001   0.009292  -0.000239  -0.000111   0.000038  -0.000016
     8  C    0.101205  -0.257814  -0.007423   0.002468  -0.029480   0.045156
     9  C    0.197379   0.078016  -0.043989   0.040505  -0.050194   0.009301
    10  C    0.095334  -0.463173   0.192326   0.341747  -0.033974   0.014913
    11  C    0.000016  -0.000727  -0.000813   0.000109  -0.000158   0.000043
    12  H   -0.448547   0.033745   0.095216  -0.150035   0.003354  -0.002514
    13  H    1.725945  -0.029050  -0.180041   0.091389  -0.046100   0.022408
    14  H   -0.029050   3.474687   0.058552  -0.144567   0.008423  -0.006465
    15  H   -0.180041   0.058552   1.236017  -0.370340  -0.002404   0.002411
    16  H    0.091389  -0.144567  -0.370340   1.506595  -0.002337   0.002046
    17  H   -0.046100   0.008423  -0.002404  -0.002337   0.916725  -0.157623
    18  H    0.022408  -0.006465   0.002411   0.002046  -0.157623   1.130426
    19  H    0.005440   0.002614  -0.001073   0.001587  -0.058794  -0.171791
    20  H    0.006982  -0.108522  -0.000530   0.002539  -0.003308   0.009628
    21  H   -0.001717   0.031955  -0.000973   0.000475   0.000351  -0.018937
    22  H    0.001470   0.016052  -0.000995   0.000386   0.000111   0.004838
    23  H   -0.000760   0.213711  -0.028232  -0.001628   0.010722   0.000813
    24  H    0.000048  -0.092758  -0.000946   0.001031   0.000354   0.000249
    25  H    0.000000   0.000125  -0.000153   0.000064   0.000311   0.000033
    26  H    0.000001   0.000183  -0.000215   0.000008   0.000161  -0.000026
    27  H   -0.000000  -0.000131   0.000029  -0.000000   0.000009  -0.000000
              19         20         21         22         23         24
     1  C   -0.110239  -0.001616   0.000873   0.029015   0.012695  -0.000607
     2  C    0.195016  -0.087285   0.191516   0.181052  -0.137151  -0.009084
     3  C   -0.010913  -0.037411   0.017985   0.027778  -0.240157  -0.104840
     4  C    0.028655  -0.003444   0.003987   0.000909  -0.274419  -0.351064
     5  C    0.008254   0.011851  -0.006208  -0.001401  -1.113133   0.408706
     6  C    0.000433   0.000096   0.000606  -0.000024   0.002200  -0.387162
     7  O   -0.000252  -0.000085   0.000006   0.000007   0.033300  -0.100618
     8  C    0.003306   0.563774  -0.047296  -0.086248  -0.019016   0.002427
     9  C    0.013986  -0.047112   0.006040   0.054431   0.003361   0.000670
    10  C   -0.000967   0.034213  -0.013064  -0.016583  -0.079675   0.002220
    11  C    0.000489  -0.000018   0.000046   0.000001  -0.072040   0.000450
    12  H   -0.004408  -0.018698   0.002944  -0.010841   0.000140  -0.000069
    13  H    0.005440   0.006982  -0.001717   0.001470  -0.000760   0.000048
    14  H    0.002614  -0.108522   0.031955   0.016052   0.213711  -0.092758
    15  H   -0.001073  -0.000530  -0.000973  -0.000995  -0.028232  -0.000946
    16  H    0.001587   0.002539   0.000475   0.000386  -0.001628   0.001031
    17  H   -0.058794  -0.003308   0.000351   0.000111   0.010722   0.000354
    18  H   -0.171791   0.009628  -0.018937   0.004838   0.000813   0.000249
    19  H    0.893937  -0.001982   0.022872  -0.016726  -0.025396  -0.000917
    20  H   -0.001982   0.955231  -0.137682  -0.144139  -0.000930   0.001720
    21  H    0.022872  -0.137682   0.772106   0.017304   0.001086  -0.000043
    22  H   -0.016726  -0.144139   0.017304   0.831050   0.001668  -0.000080
    23  H   -0.025396  -0.000930   0.001086   0.001668   2.516211   0.088710
    24  H   -0.000917   0.001720  -0.000043  -0.000080   0.088710   1.381658
    25  H   -0.000165   0.000000   0.000011   0.000000  -0.003874  -0.003420
    26  H   -0.000117  -0.000004   0.000027  -0.000002  -0.015040  -0.004950
    27  H   -0.000030   0.000000  -0.000001   0.000000   0.010002   0.006592
              25         26         27
     1  C   -0.000286   0.000811   0.000003
     2  C   -0.000161  -0.000149  -0.000110
     3  C    0.002043   0.003245  -0.000351
     4  C   -0.009620   0.003208   0.014294
     5  C   -0.075678  -0.080105   0.049171
     6  C    0.074454   0.062586   0.118250
     7  O    0.004877   0.009173  -0.036545
     8  C    0.000032  -0.000039   0.000002
     9  C    0.000048   0.000066   0.000008
    10  C    0.000051  -0.000003  -0.000042
    11  C    0.251589   0.249701   0.336108
    12  H   -0.000000   0.000001   0.000000
    13  H    0.000000   0.000001  -0.000000
    14  H    0.000125   0.000183  -0.000131
    15  H   -0.000153  -0.000215   0.000029
    16  H    0.000064   0.000008  -0.000000
    17  H    0.000311   0.000161   0.000009
    18  H    0.000033  -0.000026  -0.000000
    19  H   -0.000165  -0.000117  -0.000030
    20  H    0.000000  -0.000004   0.000000
    21  H    0.000011   0.000027  -0.000001
    22  H    0.000000  -0.000002   0.000000
    23  H   -0.003874  -0.015040   0.010002
    24  H   -0.003420  -0.004950   0.006592
    25  H    0.543400   0.064049  -0.073276
    26  H    0.064049   0.570938  -0.081057
    27  H   -0.073276  -0.081057   0.858072
 Mulliken charges:
               1
     1  C    1.483557
     2  C   -4.041069
     3  C    0.670305
     4  C   -0.113803
     5  C   -0.629282
     6  C   -0.551706
     7  O   -0.132683
     8  C    1.073119
     9  C    0.838796
    10  C    0.623714
    11  C    0.420605
    12  H    0.107797
    13  H   -0.297389
    14  H   -0.138230
    15  H    0.040899
    16  H   -0.320696
    17  H   -0.068453
    18  H    0.013255
    19  H    0.227180
    20  H    0.006733
    21  H    0.155733
    22  H    0.110968
    23  H    0.116829
    24  H    0.161722
    25  H    0.225546
    26  H    0.217550
    27  H   -0.200998
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.655539
     2  C   -4.041069
     3  C    0.532075
     4  C    0.003026
     5  C   -0.467560
     6  C   -0.551706
     7  O   -0.132683
     8  C    1.346553
     9  C    0.649204
    10  C    0.343918
    11  C    0.662703
 Electronic spatial extent (au):  <R**2>=           2481.9891
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.7185    Y=             -1.5343    Z=              1.6519  Tot=              4.3486
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -83.4600   YY=            -69.6198   ZZ=            -67.7544
   XY=             -6.1118   XZ=              7.2859   YZ=             -0.0184
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.8486   YY=              3.9916   ZZ=              5.8570
   XY=             -6.1118   XZ=              7.2859   YZ=             -0.0184
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -65.2682  YYY=             -1.0638  ZZZ=             -3.6760  XYY=              0.6393
  XXY=            -23.0564  XXZ=             29.1723  XZZ=             -0.5237  YZZ=              0.4368
  YYZ=              1.8333  XYZ=              2.8341
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2788.8558 YYYY=           -462.2969 ZZZZ=           -417.7935 XXXY=           -101.0944
 XXXZ=            104.8845 YYYX=              3.9924 YYYZ=             -2.6788 ZZZX=              4.8663
 ZZZY=             -1.2441 XXYY=           -504.8795 XXZZ=           -484.0241 YYZZ=           -145.1889
 XXYZ=             15.2853 YYXZ=              1.1878 ZZXY=              0.4354
 N-N= 6.081382990542D+02 E-N=-2.293434080197D+03  KE= 4.595551331764D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 20:20:48 2021, MaxMem=  6442450944 cpu:               1.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.42079279D+00-5.59810245D-01 5.92930608D-01
 Polarizability= 1.60911171D+02 7.13297168D+00 1.05896492D+02
                -3.02958785D+00-4.33051648D+00 1.07218356D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.3575    2.3567        4.1695    4.1749
 2     -2.3575   -2.3567        2.1474    2.1540      -29.0854  -29.0613
 3     -4.1695   -4.1749       28.6064   28.5803       -2.1473   -2.1540
 4     -2.1474   -2.1540        0.0000    0.0000       -4.1705   -4.1749
 5      0.4789    0.4811        4.1705    4.1749        2.3567    2.3567
 6      2.1473    2.1540       -2.3567   -2.3567        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -7.0700   -7.0700       12.5246   12.5246
 2     -6.4621   -6.4621        0.0000    0.0000       12.5246   12.5246
 3     -6.4621   -6.4621       -7.0700   -7.0700        0.0000    0.0000
 4     -7.0700   -7.0700        6.4621    6.4621      -87.1839  -87.1839
 5    -12.5246  -12.5246       85.7408   85.7408       -6.4621   -6.4621
 6      1.4432    1.4432       12.5246   12.5246        7.0700    7.0700
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3187    0.0000       -9.6984   -9.4267      -16.8464  -16.6994
 2      9.7017    9.4267       -8.3056   -8.6161      116.3144  116.2453
 3     16.7709   16.6994     -113.9100 -114.3210        8.6438    8.6161
 4      8.3899    8.6161        0.0897    0.0000       16.8242   16.6994
 5     -1.6930   -1.9242      -16.8056  -16.6994       -9.7090   -9.4267
 6     -8.8646   -8.6161        9.9376    9.4267        0.0489    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3368    0.0000      -26.8898  -26.7681      -25.0836  -24.5650
 2     26.1101   26.7681       13.8523   15.1383       16.3227   16.8363
 3     24.9297   24.5650       55.7424   55.1378      -15.2959  -15.1383
 4    -15.4476  -15.1383        0.0783    0.0000       23.6192   24.5650
 5    -72.2187  -71.9741      -24.7837  -24.5650      -25.8914  -26.7681
 6     15.6633   15.1383       26.6977   26.7681        0.9033    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -28.7201  -28.6304      -39.7531  -39.2174      -14.8420  -14.7139
 2    -40.7260  -40.4103      -62.5106  -62.0411      -15.9354  -14.7139
 3    -40.8774  -40.4103      -39.6581  -39.2174       -8.5463   -7.6766
 4     21.8823   22.8236       11.7538   11.7799       40.0825   40.1909
 5      7.7995    7.0373       55.8343   55.5153      -11.8184  -11.7799
 6    -95.8043  -95.7062       -7.1271   -7.0373      -21.9990  -22.8236
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0003    0.0001    0.0008    2.3280    3.9918    9.0403
 Low frequencies ---   34.0682   64.4603   81.0821
 Diagonal vibrational polarizability:
       18.5500352      56.4003859      26.6129305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.0659                64.4602                81.0789
 Red. masses --      4.0708                 3.1521                 2.9689
 Frc consts  --      0.0028                 0.0077                 0.0115
 IR Inten    --      3.2274                 0.4045                 1.5043
 RamAct Fr= 1--      2.5095                 0.8829                 0.3280
  Dep-P Fr= 1--      0.7315                 0.7175                 0.4971
  Dep-U Fr= 1--      0.8449                 0.8355                 0.6641
 Alpha2 Fr= 1--      0.0008                 0.0005                 0.0016
 Beta2  Fr= 1--      0.3534                 0.1230                 0.0363
 AlphaG Fr= 1--     -0.0017                 0.0012                 0.0042
 Gamma2 Fr= 1--     -0.0505                 0.1148                 0.0823
 Delta2 Fr= 1--      0.0323                -0.0401                 0.0029
 Raman1 Fr= 1--      10.038                  3.532                  1.312
 ROA1   Fr= 1--      -3.811                  9.738                  7.991
 CID1   Fr= 1--      -0.380                  2.757                  6.090
 Raman2 Fr= 1--       4.241                  1.475                  0.436
 ROA2   Fr= 1--      -1.469                  3.077                  1.951
 CID2   Fr= 1--      -0.346                  2.085                  4.478
 Raman3 Fr= 1--       8.481                  2.951                  0.871
 ROA3   Fr= 1--      -3.811                  9.738                  7.991
 CID3   Fr= 1--      -0.449                  3.300                  9.170
 RC180  Fr= 1--       0.690                  0.671                  0.328
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.09  -0.03     0.05  -0.12  -0.00     0.22   0.04  -0.01
     2   6     0.05   0.01  -0.03     0.06  -0.02   0.00     0.04  -0.01   0.01
     3   6    -0.01  -0.10  -0.03    -0.01  -0.09  -0.03    -0.02   0.03  -0.10
     4   6    -0.01  -0.12  -0.05    -0.01  -0.12  -0.05    -0.01   0.01  -0.13
     5   6    -0.04   0.00   0.02    -0.03  -0.07  -0.03     0.01   0.03  -0.07
     6   6    -0.04   0.04   0.03    -0.04   0.04   0.00    -0.03  -0.01   0.03
     7   8    -0.09   0.25   0.16    -0.05   0.02  -0.03     0.04  -0.06   0.09
     8   6     0.12   0.01  -0.11     0.21   0.04   0.08    -0.08  -0.04   0.02
     9   6    -0.03   0.03   0.07    -0.04   0.09  -0.04     0.02  -0.05   0.14
    10   6    -0.08  -0.06   0.07    -0.11  -0.02  -0.02    -0.00   0.02  -0.08
    11   6     0.02  -0.18  -0.11    -0.05   0.21   0.11    -0.17   0.03   0.08
    12   1    -0.04   0.01   0.08     0.02   0.16  -0.05    -0.15  -0.07   0.25
    13   1    -0.02   0.11   0.12    -0.11   0.15  -0.07     0.17  -0.11   0.25
    14   1    -0.02  -0.15  -0.05    -0.01  -0.09  -0.03    -0.06   0.07  -0.09
    15   1    -0.10  -0.03   0.10    -0.18  -0.04  -0.01     0.12  -0.03  -0.17
    16   1    -0.15  -0.11   0.10    -0.15  -0.03  -0.02    -0.12   0.09  -0.11
    17   1     0.05   0.10   0.03    -0.04  -0.15  -0.06     0.29   0.06  -0.01
    18   1     0.14   0.18  -0.01     0.08  -0.06   0.01     0.27   0.03   0.08
    19   1     0.15   0.06  -0.10     0.11  -0.21   0.03     0.24   0.08  -0.13
    20   1     0.08  -0.05  -0.10     0.20   0.11   0.08    -0.21  -0.07   0.04
    21   1     0.17  -0.03  -0.18     0.30  -0.07   0.09    -0.09   0.01  -0.10
    22   1     0.16   0.09  -0.09     0.26   0.12   0.11    -0.04  -0.07   0.11
    23   1     0.02  -0.22  -0.11     0.00  -0.12  -0.05    -0.02  -0.03  -0.16
    24   1    -0.07   0.11   0.09    -0.04  -0.08  -0.04     0.06   0.07  -0.05
    25   1     0.11  -0.18  -0.31    -0.05   0.20   0.26    -0.23   0.04   0.12
    26   1    -0.03  -0.38  -0.03    -0.05   0.33   0.04    -0.19   0.11   0.02
    27   1     0.01  -0.13  -0.09    -0.05   0.24   0.10    -0.18  -0.02   0.14
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.2661               147.2191               161.0704
 Red. masses --      1.0300                 3.3943                 2.8014
 Frc consts  --      0.0094                 0.0433                 0.0428
 IR Inten    --      0.0338                 1.4184                 2.0693
 RamAct Fr= 1--      0.0616                 0.8292                 0.3087
  Dep-P Fr= 1--      0.6982                 0.6700                 0.5075
  Dep-U Fr= 1--      0.8223                 0.8024                 0.6733
 Alpha2 Fr= 1--      0.0001                 0.0012                 0.0015
 Beta2  Fr= 1--      0.0084                 0.1109                 0.0346
 AlphaG Fr= 1--     -0.0004                -0.0248                -0.0086
 Gamma2 Fr= 1--     -0.0424                -0.0809                -0.2964
 Delta2 Fr= 1--     -0.0096                 0.1000                -0.1806
 Raman1 Fr= 1--       0.246                  3.317                  1.235
 ROA1   Fr= 1--      -4.380                 -4.569                -34.235
 CID1   Fr= 1--     -17.775                 -1.378                -27.724
 Raman2 Fr= 1--       0.101                  1.331                  0.416
 ROA2   Fr= 1--      -0.941                 -2.743                 -5.669
 CID2   Fr= 1--      -9.286                 -2.061                -13.636
 Raman3 Fr= 1--       0.203                  2.661                  0.831
 ROA3   Fr= 1--      -4.380                 -4.569                -34.235
 CID3   Fr= 1--     -21.617                 -1.717                -41.175
 RC180  Fr= 1--       0.645                  0.605                  0.347
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.03   0.01  -0.02    -0.03  -0.08  -0.02
     2   6     0.00   0.00   0.00     0.01  -0.02  -0.01     0.00  -0.00  -0.02
     3   6    -0.00   0.00  -0.00    -0.00  -0.04  -0.01    -0.00  -0.02  -0.00
     4   6    -0.00   0.01  -0.00    -0.01  -0.05   0.02     0.02   0.11  -0.07
     5   6     0.00  -0.00  -0.01    -0.08   0.29   0.23    -0.00   0.16  -0.07
     6   6    -0.00   0.01   0.00    -0.02   0.06   0.05    -0.03   0.04  -0.03
     7   8     0.01  -0.03  -0.01    -0.00  -0.14  -0.12     0.07  -0.05   0.03
     8   6     0.00   0.00   0.01     0.05  -0.03  -0.06     0.07   0.02   0.04
     9   6     0.00   0.00   0.00    -0.01  -0.02   0.01     0.02  -0.00  -0.05
    10   6    -0.00   0.00   0.00    -0.03  -0.02  -0.05     0.06  -0.07   0.20
    11   6    -0.01   0.01   0.01     0.04   0.01   0.00    -0.18  -0.05  -0.04
    12   1     0.00   0.00   0.00    -0.05  -0.01   0.04     0.19  -0.05  -0.18
    13   1    -0.00   0.00   0.00     0.02  -0.03   0.04    -0.12   0.10  -0.12
    14   1    -0.00   0.00  -0.00     0.03  -0.01   0.01    -0.11  -0.13  -0.06
    15   1     0.00   0.00   0.00    -0.03  -0.06  -0.09     0.03   0.12   0.39
    16   1    -0.00  -0.00   0.00    -0.06   0.03  -0.08     0.13  -0.30   0.32
    17   1     0.00  -0.00  -0.00     0.00   0.01   0.01    -0.04  -0.09  -0.05
    18   1     0.00  -0.01   0.00     0.06   0.06  -0.00    -0.04  -0.09  -0.03
    19   1     0.00  -0.00   0.00     0.07  -0.01  -0.06    -0.03  -0.10   0.03
    20   1    -0.00   0.01   0.01     0.01  -0.07  -0.06     0.08   0.08   0.04
    21   1     0.00   0.00   0.01     0.10  -0.06  -0.13     0.11  -0.03   0.06
    22   1     0.00   0.00   0.01     0.09   0.04  -0.04     0.09   0.05   0.05
    23   1    -0.00   0.03   0.01     0.04  -0.37  -0.18     0.08   0.11  -0.08
    24   1     0.01  -0.03  -0.02    -0.15   0.56   0.41     0.01   0.17  -0.06
    25   1     0.52  -0.11  -0.23     0.05   0.01  -0.05    -0.27  -0.01  -0.11
    26   1    -0.43  -0.39  -0.09     0.07  -0.06   0.05    -0.18  -0.03  -0.06
    27   1    -0.10   0.46   0.30     0.05  -0.01  -0.05    -0.19  -0.16   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    221.2189               245.1834               271.8350
 Red. masses --      1.3396                 1.7003                 2.6112
 Frc consts  --      0.0386                 0.0602                 0.1137
 IR Inten    --      0.0594                 0.6904                 0.6248
 RamAct Fr= 1--      0.4453                 0.6282                 3.3740
  Dep-P Fr= 1--      0.5948                 0.5465                 0.1443
  Dep-U Fr= 1--      0.7459                 0.7068                 0.2522
 Alpha2 Fr= 1--      0.0013                 0.0024                 0.0529
 Beta2  Fr= 1--      0.0554                 0.0740                 0.1418
 AlphaG Fr= 1--     -0.0007                 0.0086                -0.0101
 Gamma2 Fr= 1--     -0.5212                 0.0634                 0.9133
 Delta2 Fr= 1--     -0.0873                 0.1945                 0.0096
 Raman1 Fr= 1--       1.781                  2.513                 13.496
 ROA1   Fr= 1--     -52.831                 12.306                 87.985
 CID1   Fr= 1--     -29.659                  4.898                  6.519
 Raman2 Fr= 1--       0.664                  0.888                  1.702
 ROA2   Fr= 1--     -11.812                 -0.036                 21.842
 CID2   Fr= 1--     -17.779                 -0.040                 12.837
 Raman3 Fr= 1--       1.329                  1.776                  3.403
 ROA3   Fr= 1--     -52.831                 12.306                 87.985
 CID3   Fr= 1--     -39.761                  6.929                 25.854
 RC180  Fr= 1--       0.492                  0.414                 -0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00  -0.03    -0.08   0.05   0.08     0.16  -0.02  -0.06
     2   6     0.01   0.02  -0.02     0.03  -0.02   0.06     0.02  -0.01  -0.04
     3   6    -0.00  -0.02  -0.02     0.03  -0.00   0.05     0.02   0.04   0.02
     4   6     0.01  -0.05  -0.03     0.03  -0.01   0.00    -0.07   0.11   0.17
     5   6     0.01   0.00   0.02    -0.01   0.02  -0.04    -0.07  -0.04   0.05
     6   6     0.02  -0.00   0.01    -0.02   0.01  -0.04    -0.09  -0.00   0.02
     7   8     0.01  -0.00   0.00     0.00   0.01  -0.00    -0.13  -0.00  -0.05
     8   6    -0.10   0.01   0.03     0.10  -0.03  -0.04     0.05   0.01  -0.00
     9   6    -0.01   0.05  -0.03     0.03  -0.03   0.05     0.05  -0.04  -0.05
    10   6    -0.03  -0.01   0.05     0.03   0.01  -0.07     0.09  -0.00  -0.02
    11   6     0.04   0.01   0.01    -0.11   0.00  -0.03    -0.05  -0.03  -0.01
    12   1     0.06   0.06  -0.07    -0.05  -0.01   0.11     0.08  -0.05  -0.08
    13   1    -0.08   0.10  -0.05     0.11  -0.09   0.08     0.03  -0.05  -0.08
    14   1    -0.00  -0.06  -0.04     0.02   0.07   0.08     0.09   0.01   0.01
    15   1    -0.06   0.05   0.12     0.04  -0.09  -0.18     0.10   0.00  -0.02
    16   1    -0.03  -0.09   0.09    -0.00   0.14  -0.14     0.15   0.01  -0.03
    17   1    -0.04  -0.03  -0.04    -0.21   0.04   0.16    -0.11  -0.08  -0.06
    18   1     0.13   0.11   0.02    -0.10   0.17  -0.01     0.34   0.28   0.07
    19   1     0.16  -0.10  -0.09    -0.05  -0.01   0.11     0.40  -0.27  -0.21
    20   1     0.31   0.12  -0.03     0.54  -0.02  -0.12     0.13   0.05  -0.01
    21   1    -0.36   0.16   0.47    -0.05   0.01   0.32     0.05  -0.02   0.08
    22   1    -0.39  -0.28  -0.28    -0.15  -0.10  -0.41     0.02   0.01  -0.05
    23   1     0.01  -0.11  -0.07     0.06  -0.02  -0.01    -0.13   0.30   0.29
    24   1     0.01   0.06   0.05    -0.05   0.02  -0.03    -0.07  -0.22  -0.06
    25   1     0.05   0.00   0.03    -0.13   0.01  -0.05    -0.07  -0.03  -0.04
    26   1     0.04   0.01   0.02    -0.14   0.01  -0.06    -0.02  -0.06   0.03
    27   1     0.04   0.03   0.00    -0.12  -0.03   0.03    -0.04  -0.06  -0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    290.3689               315.3975               351.5791
 Red. masses --      1.1987                 2.1583                 2.4524
 Frc consts  --      0.0595                 0.1265                 0.1786
 IR Inten    --      0.0608                 0.1001                 0.3846
 RamAct Fr= 1--      0.8668                 1.2465                 1.0087
  Dep-P Fr= 1--      0.1620                 0.4471                 0.7474
  Dep-U Fr= 1--      0.2789                 0.6179                 0.8554
 Alpha2 Fr= 1--      0.0130                 0.0077                 0.0000
 Beta2  Fr= 1--      0.0403                 0.1284                 0.1438
 AlphaG Fr= 1--     -0.0128                 0.0146                -0.0004
 Gamma2 Fr= 1--      0.1086                -0.1314                -0.6405
 Delta2 Fr= 1--      0.0208                 0.0207                -0.1466
 Raman1 Fr= 1--       3.467                  4.986                  4.035
 ROA1   Fr= 1--      11.090                -11.949                -66.183
 CID1   Fr= 1--       3.199                 -2.396                -16.403
 Raman2 Fr= 1--       0.483                  1.540                  1.726
 ROA2   Fr= 1--       2.440                 -3.319                -14.200
 CID2   Fr= 1--       5.048                 -2.154                 -8.228
 Raman3 Fr= 1--       0.967                  3.081                  3.451
 ROA3   Fr= 1--      11.090                -11.949                -66.183
 CID3   Fr= 1--      11.471                 -3.878                -19.175
 RC180  Fr= 1--      -0.442                  0.236                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.01  -0.01     0.00  -0.11  -0.06    -0.08   0.12  -0.05
     2   6     0.03   0.01  -0.01    -0.03  -0.00  -0.04    -0.02  -0.00  -0.06
     3   6     0.02  -0.01   0.01    -0.06   0.01  -0.05    -0.03   0.03  -0.11
     4   6    -0.01  -0.02   0.04    -0.05   0.15   0.00    -0.05  -0.02  -0.10
     5   6    -0.03  -0.01   0.02     0.02   0.03  -0.00    -0.01  -0.01   0.00
     6   6    -0.04  -0.00   0.00     0.02   0.02   0.04    -0.03  -0.04   0.03
     7   8    -0.05  -0.00  -0.02     0.04  -0.02   0.02    -0.07  -0.01   0.00
     8   6     0.01   0.01   0.01     0.08   0.02  -0.06     0.07   0.08   0.15
     9   6     0.03   0.02  -0.02    -0.07  -0.03   0.12     0.04  -0.13   0.02
    10   6     0.03  -0.00   0.00    -0.08  -0.01   0.01     0.10  -0.04   0.01
    11   6    -0.04  -0.01  -0.00     0.10  -0.01   0.01     0.07  -0.00   0.04
    12   1     0.06   0.03  -0.04    -0.24  -0.13   0.20    -0.05  -0.26   0.03
    13   1     0.01   0.03  -0.04     0.08  -0.02   0.27     0.14  -0.15   0.10
    14   1     0.05  -0.01   0.00    -0.09  -0.03  -0.08    -0.07   0.01  -0.11
    15   1     0.01   0.00   0.01    -0.01  -0.04  -0.04     0.23   0.06   0.05
    16   1     0.04  -0.01   0.00    -0.16   0.03  -0.01     0.09  -0.12   0.05
    17   1     0.58   0.12  -0.08     0.13  -0.12  -0.19    -0.12   0.15   0.11
    18   1    -0.14  -0.51  -0.01    -0.04  -0.31  -0.02    -0.12   0.21  -0.16
    19   1    -0.31   0.43   0.06    -0.08  -0.05   0.03    -0.10   0.15  -0.07
    20   1     0.12   0.05  -0.01     0.36   0.05  -0.11     0.13   0.37   0.16
    21   1    -0.05   0.04   0.12     0.05  -0.03   0.16     0.13  -0.07   0.35
    22   1    -0.06  -0.06  -0.07    -0.04   0.05  -0.28     0.09   0.06   0.20
    23   1    -0.01  -0.02   0.03    -0.10   0.32   0.11    -0.10  -0.10  -0.14
    24   1    -0.05  -0.02   0.02     0.11  -0.11  -0.10     0.05   0.07   0.04
    25   1    -0.04  -0.01  -0.01     0.10  -0.01  -0.00     0.12  -0.02   0.10
    26   1    -0.04  -0.01  -0.00     0.16  -0.05   0.07     0.11  -0.01   0.07
    27   1    -0.04  -0.01   0.00     0.12  -0.00  -0.07     0.08   0.07  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    372.0731               408.6510               454.2721
 Red. masses --      2.5053                 2.3769                 2.4725
 Frc consts  --      0.2043                 0.2339                 0.3006
 IR Inten    --      0.2199                 0.2040                 0.0456
 RamAct Fr= 1--      2.0701                 0.5416                 1.3075
  Dep-P Fr= 1--      0.2717                 0.6698                 0.4888
  Dep-U Fr= 1--      0.4273                 0.8022                 0.6566
 Alpha2 Fr= 1--      0.0231                 0.0008                 0.0068
 Beta2  Fr= 1--      0.1474                 0.0724                 0.1431
 AlphaG Fr= 1--      0.0231                -0.0093                -0.0280
 Gamma2 Fr= 1--      0.1996                 0.1322                -0.2877
 Delta2 Fr= 1--      0.2253                 0.1405                -0.1944
 Raman1 Fr= 1--       8.281                  2.166                  5.230
 ROA1   Fr= 1--      26.369                 17.183                -33.840
 CID1   Fr= 1--       3.184                  7.932                 -6.470
 Raman2 Fr= 1--       1.769                  0.869                  1.717
 ROA2   Fr= 1--       2.987                  2.048                 -5.350
 CID2   Fr= 1--       1.689                  2.357                 -3.116
 Raman3 Fr= 1--       3.538                  1.738                  3.434
 ROA3   Fr= 1--      26.369                 17.183                -33.840
 CID3   Fr= 1--       7.453                  9.887                 -9.854
 RC180  Fr= 1--      -0.145                  0.604                  0.313
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.15   0.02    -0.05   0.00  -0.12    -0.05   0.01   0.06
     2   6    -0.05  -0.09   0.02     0.04   0.04  -0.11     0.18  -0.01   0.00
     3   6    -0.04  -0.09   0.02     0.07  -0.09   0.00     0.05  -0.07  -0.11
     4   6    -0.01   0.09   0.04     0.05  -0.04   0.13    -0.01   0.08  -0.05
     5   6     0.01   0.04  -0.02     0.02  -0.02   0.06    -0.01   0.05  -0.03
     6   6     0.04   0.06   0.01     0.05   0.07  -0.02    -0.08   0.05   0.08
     7   8     0.09  -0.02   0.03     0.07   0.02  -0.04    -0.09  -0.05  -0.01
     8   6     0.03  -0.06   0.10    -0.05   0.08   0.07    -0.02  -0.07   0.02
     9   6    -0.08  -0.02  -0.11     0.01   0.00   0.08     0.10   0.11   0.03
    10   6    -0.10  -0.09  -0.08    -0.04  -0.05  -0.02    -0.03  -0.04  -0.02
    11   6     0.02   0.00  -0.02    -0.09   0.00  -0.05     0.04  -0.03   0.03
    12   1     0.04   0.11  -0.14    -0.19  -0.14   0.16     0.14   0.20   0.04
    13   1    -0.20  -0.04  -0.23     0.18   0.07   0.28     0.03   0.20   0.03
    14   1    -0.06  -0.09   0.02     0.20  -0.18  -0.04     0.00  -0.10  -0.12
    15   1    -0.21  -0.15  -0.09    -0.07  -0.18  -0.13    -0.04  -0.05  -0.03
    16   1    -0.07  -0.02  -0.11    -0.14   0.08  -0.08    -0.15  -0.05  -0.01
    17   1     0.21   0.25   0.25    -0.14  -0.02  -0.14    -0.21   0.00   0.15
    18   1     0.08   0.20   0.04    -0.10   0.02  -0.21    -0.19   0.08  -0.21
    19   1     0.01   0.33  -0.22    -0.06  -0.05  -0.02    -0.11  -0.02   0.27
    20   1     0.06   0.06   0.11    -0.19   0.27   0.11    -0.19  -0.14   0.04
    21   1     0.07  -0.14   0.19    -0.07   0.10   0.11    -0.15   0.12  -0.09
    22   1     0.04  -0.06   0.12    -0.00  -0.08   0.25    -0.05  -0.27   0.11
    23   1     0.00   0.28   0.15     0.03   0.06   0.18    -0.05   0.31   0.10
    24   1     0.04  -0.13  -0.12    -0.08  -0.13   0.00     0.12  -0.15  -0.16
    25   1    -0.01   0.02  -0.09    -0.20   0.04  -0.16     0.06  -0.02  -0.05
    26   1     0.05  -0.04   0.01    -0.15  -0.00  -0.09     0.16  -0.14   0.17
    27   1     0.03  -0.05  -0.04    -0.12  -0.14   0.09     0.08  -0.03  -0.13
                     16                     17                     18
                      A                      A                      A
 Frequencies --    527.9901               575.3754               585.9863
 Red. masses --      2.7784                 3.2269                 2.8023
 Frc consts  --      0.4563                 0.6294                 0.5669
 IR Inten    --     10.2516                10.1770                 3.5327
 RamAct Fr= 1--      2.7617                 1.2366                 3.3232
  Dep-P Fr= 1--      0.2877                 0.7204                 0.0845
  Dep-U Fr= 1--      0.4468                 0.8375                 0.1558
 Alpha2 Fr= 1--      0.0294                 0.0006                 0.0604
 Beta2  Fr= 1--      0.2057                 0.1726                 0.0863
 AlphaG Fr= 1--     -0.0121                -0.0131                -0.1903
 Gamma2 Fr= 1--      0.5031                -1.0555                 0.7880
 Delta2 Fr= 1--      0.0496                 0.0755                 0.0504
 Raman1 Fr= 1--      11.047                  4.947                 13.293
 ROA1   Fr= 1--      49.879                -98.915                 77.257
 CID1   Fr= 1--       4.515                -19.997                  5.812
 Raman2 Fr= 1--       2.468                  2.071                  1.036
 ROA2   Fr= 1--      11.677                -25.937                 18.508
 CID2   Fr= 1--       4.731                -12.522                 17.870
 Raman3 Fr= 1--       4.936                  4.143                  2.071
 ROA3   Fr= 1--      49.879                -98.915                 77.257
 CID3   Fr= 1--      10.105                -23.877                 37.297
 RC180  Fr= 1--      -0.106                  0.675                 -0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.04     0.01  -0.01   0.05     0.01  -0.01   0.05
     2   6    -0.00   0.05  -0.02     0.01   0.02   0.03    -0.09   0.06   0.04
     3   6     0.03  -0.06   0.13    -0.04   0.04  -0.11     0.00  -0.05   0.08
     4   6     0.05  -0.01   0.03    -0.12  -0.13   0.02     0.09  -0.05  -0.09
     5   6    -0.10   0.07  -0.14    -0.11  -0.11   0.04     0.07  -0.02  -0.08
     6   6    -0.15  -0.04  -0.06    -0.04   0.20   0.04    -0.02   0.17   0.15
     7   8     0.01  -0.09   0.17     0.16  -0.08   0.07    -0.06  -0.03  -0.10
     8   6    -0.03   0.08  -0.01     0.00   0.01  -0.01    -0.04   0.14  -0.03
     9   6     0.03  -0.01  -0.00     0.04  -0.01  -0.00    -0.01  -0.06  -0.03
    10   6     0.02  -0.04  -0.01     0.05   0.04  -0.00     0.02  -0.04  -0.01
    11   6     0.06   0.05  -0.06     0.00   0.10  -0.13    -0.01  -0.03   0.09
    12   1    -0.01  -0.07  -0.00     0.07   0.01  -0.02     0.00  -0.11  -0.05
    13   1     0.06   0.01   0.04     0.01  -0.05  -0.05    -0.01  -0.10  -0.06
    14   1     0.07  -0.11   0.11     0.00   0.11  -0.07    -0.05  -0.06   0.07
    15   1    -0.06  -0.24  -0.17     0.18   0.22   0.12    -0.03  -0.18  -0.12
    16   1     0.04   0.19  -0.14     0.06  -0.15   0.10     0.05   0.12  -0.10
    17   1     0.01  -0.03  -0.13    -0.01  -0.01   0.05     0.06  -0.04  -0.10
    18   1     0.03  -0.04   0.03    -0.01  -0.02   0.02     0.10  -0.06   0.23
    19   1     0.03  -0.05  -0.03    -0.01  -0.01   0.11     0.07  -0.06  -0.02
    20   1    -0.07   0.11   0.00     0.03  -0.04  -0.02     0.01   0.11  -0.04
    21   1    -0.04   0.10  -0.01     0.00   0.02  -0.03     0.01   0.09  -0.04
    22   1    -0.02   0.04   0.04    -0.01   0.05  -0.05    -0.03   0.25  -0.08
    23   1     0.27  -0.02  -0.00    -0.31  -0.05   0.09     0.18   0.05  -0.04
    24   1    -0.19   0.11  -0.10    -0.24  -0.30  -0.06     0.20  -0.14  -0.16
    25   1     0.29  -0.03   0.16    -0.04   0.14  -0.44    -0.11   0.03  -0.33
    26   1     0.24   0.04   0.07     0.14  -0.17   0.10     0.11  -0.34   0.32
    27   1     0.12   0.33  -0.41     0.05  -0.04  -0.30     0.03  -0.28  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    618.6316               732.5006               796.9197
 Red. masses --      2.8782                 1.9296                 2.3502
 Frc consts  --      0.6490                 0.6100                 0.8794
 IR Inten    --      0.7427                 0.5621                 1.6301
 RamAct Fr= 1--      4.7124                 9.2304                17.6227
  Dep-P Fr= 1--      0.1086                 0.0301                 0.5926
  Dep-U Fr= 1--      0.1959                 0.0584                 0.7442
 Alpha2 Fr= 1--      0.0808                 0.1911                 0.0516
 Beta2  Fr= 1--      0.1538                 0.0899                 2.1858
 AlphaG Fr= 1--      0.1697                 0.3078                 0.0754
 Gamma2 Fr= 1--     -0.9346                 0.5908                 5.0926
 Delta2 Fr= 1--     -0.4077                -0.4685                -0.5434
 Raman1 Fr= 1--      18.849                 36.922                 70.491
 ROA1   Fr= 1--    -102.766                 41.729                471.499
 CID1   Fr= 1--      -5.452                  1.130                  6.689
 Raman2 Fr= 1--       1.846                  1.079                 26.230
 ROA2   Fr= 1--     -19.168                 17.928                126.570
 CID2   Fr= 1--     -10.385                 16.623                  4.825
 Raman3 Fr= 1--       3.692                  2.157                 52.460
 ROA3   Fr= 1--    -102.766                 41.729                471.499
 CID3   Fr= 1--     -27.837                 19.345                  8.988
 RC180  Fr= 1--      -0.608                 -0.883                  0.488
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.13     0.02  -0.01   0.13     0.02   0.00  -0.00
     2   6    -0.02  -0.08  -0.05     0.00   0.01   0.00     0.11   0.02  -0.02
     3   6     0.09   0.07   0.06     0.09  -0.06  -0.10    -0.10  -0.02   0.11
     4   6     0.11  -0.05   0.01     0.07  -0.01   0.04    -0.10   0.00  -0.01
     5   6     0.03  -0.01  -0.08     0.02   0.05   0.02    -0.12   0.00  -0.09
     6   6    -0.08   0.08   0.06    -0.02  -0.04  -0.02     0.05   0.05  -0.04
     7   8    -0.04  -0.05  -0.00    -0.03  -0.00   0.02     0.07   0.04  -0.04
     8   6     0.04  -0.17   0.04    -0.02   0.09  -0.02     0.04   0.01  -0.01
     9   6    -0.12   0.04   0.01    -0.08  -0.06  -0.07    -0.02   0.01  -0.07
    10   6    -0.01   0.18   0.05    -0.04   0.03  -0.06     0.04   0.00  -0.03
    11   6    -0.01   0.01   0.01    -0.01  -0.00  -0.03     0.04  -0.08   0.14
    12   1    -0.31   0.01   0.13    -0.38  -0.05   0.13    -0.35  -0.01   0.14
    13   1     0.09  -0.04   0.15     0.21  -0.28   0.07     0.30  -0.12   0.15
    14   1     0.17   0.15   0.09     0.18  -0.02  -0.07    -0.16  -0.04   0.10
    15   1    -0.08   0.33   0.21    -0.16   0.33   0.27    -0.19   0.11   0.15
    16   1     0.12  -0.02   0.15     0.11  -0.38   0.16     0.38  -0.11   0.02
    17   1     0.02   0.05  -0.01     0.02  -0.01   0.14    -0.02  -0.01   0.01
    18   1    -0.01   0.07  -0.14     0.02  -0.01   0.14    -0.04  -0.00  -0.10
    19   1    -0.02   0.07  -0.26     0.02  -0.01   0.15    -0.01  -0.01   0.11
    20   1     0.03  -0.08   0.06    -0.03   0.08  -0.02    -0.10  -0.02   0.02
    21   1     0.07  -0.24   0.10    -0.04   0.12  -0.04    -0.12   0.21  -0.04
    22   1     0.06  -0.20   0.10    -0.03   0.08  -0.03    -0.02  -0.24   0.07
    23   1     0.22  -0.06  -0.01     0.06   0.15   0.13    -0.01  -0.06  -0.05
    24   1     0.01  -0.02  -0.08     0.03  -0.09  -0.06    -0.25   0.06  -0.05
    25   1     0.02   0.02  -0.15     0.04  -0.03   0.12     0.01  -0.07   0.09
    26   1     0.12  -0.17   0.19    -0.01   0.09  -0.07     0.03  -0.11   0.16
    27   1     0.03  -0.03  -0.17    -0.01   0.10  -0.05     0.03  -0.15   0.21
                     22                     23                     24
                      A                      A                      A
 Frequencies --    827.1019               863.7208               881.4980
 Red. masses --      2.4044                 1.9938                 1.9120
 Frc consts  --      0.9691                 0.8763                 0.8753
 IR Inten    --      2.3576                 0.2826                 0.3329
 RamAct Fr= 1--      9.7829                 4.9386                 5.5880
  Dep-P Fr= 1--      0.1322                 0.2231                 0.7495
  Dep-U Fr= 1--      0.2335                 0.3648                 0.8568
 Alpha2 Fr= 1--      0.1582                 0.0630                 0.0000
 Beta2  Fr= 1--      0.3807                 0.3003                 0.7980
 AlphaG Fr= 1--      0.2799                -0.3949                 0.0108
 Gamma2 Fr= 1--     -1.8123                -0.0025                -0.4706
 Delta2 Fr= 1--      1.1176                -0.8715                 1.0021
 Raman1 Fr= 1--      39.132                 19.754                 22.352
 ROA1   Fr= 1--    -138.217                -28.128                -13.109
 CID1   Fr= 1--      -3.532                 -1.424                 -0.586
 Raman2 Fr= 1--       4.568                  3.603                  9.576
 ROA2   Fr= 1--     -52.437                  6.913                -19.310
 CID2   Fr= 1--     -11.479                  1.918                 -2.016
 Raman3 Fr= 1--       9.136                  7.207                 19.152
 ROA3   Fr= 1--    -138.217                -28.128                -13.109
 CID3   Fr= 1--     -15.129                 -3.903                 -0.684
 RC180  Fr= 1--      -0.533                 -0.270                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.00     0.04  -0.01   0.04    -0.04   0.00  -0.02
     2   6    -0.09  -0.01   0.02     0.08  -0.02  -0.04    -0.09  -0.01   0.02
     3   6     0.07  -0.02  -0.10     0.03   0.11  -0.03     0.00   0.00  -0.01
     4   6     0.02  -0.08   0.05     0.03   0.08   0.11    -0.00   0.06   0.05
     5   6    -0.12   0.09  -0.07     0.02  -0.08  -0.09     0.01  -0.06  -0.04
     6   6     0.00   0.04  -0.09    -0.02   0.02  -0.02    -0.00   0.00  -0.00
     7   8     0.06   0.04  -0.04     0.01   0.00  -0.01     0.00  -0.00  -0.00
     8   6    -0.04  -0.01   0.01     0.01   0.04  -0.02    -0.04  -0.02   0.01
     9   6     0.04   0.00   0.07    -0.05  -0.10   0.01     0.15   0.11   0.01
    10   6    -0.00   0.05   0.00    -0.09  -0.05   0.00    -0.02  -0.11  -0.09
    11   6     0.02  -0.11   0.15    -0.02   0.01   0.05    -0.01   0.02   0.02
    12   1     0.28   0.05  -0.08     0.16  -0.09  -0.13    -0.09   0.21   0.21
    13   1    -0.19   0.05  -0.12    -0.25  -0.03  -0.13     0.33   0.08   0.16
    14   1     0.23   0.04  -0.06     0.17   0.15  -0.01     0.01   0.11   0.04
    15   1     0.22   0.09  -0.05     0.10   0.01  -0.02    -0.16   0.13   0.20
    16   1    -0.26  -0.00   0.04    -0.30  -0.11   0.04    -0.04  -0.45   0.09
    17   1     0.01  -0.00  -0.02    -0.05  -0.00   0.14     0.06   0.01  -0.08
    18   1     0.03  -0.00   0.08    -0.08   0.01  -0.17     0.08  -0.00   0.18
    19   1     0.01   0.00  -0.08    -0.04   0.01   0.21     0.03  -0.01  -0.20
    20   1     0.09   0.02  -0.01    -0.04   0.09  -0.01     0.09  -0.00  -0.01
    21   1     0.11  -0.19   0.04    -0.05   0.11  -0.01     0.11  -0.22   0.04
    22   1     0.01   0.21  -0.05    -0.00  -0.06   0.02     0.01   0.24  -0.06
    23   1     0.05   0.15   0.18     0.12  -0.33  -0.15     0.06  -0.19  -0.11
    24   1    -0.32  -0.19  -0.22    -0.18   0.40   0.22    -0.06   0.23   0.14
    25   1     0.11  -0.16   0.32     0.03   0.01  -0.11    -0.00   0.02  -0.09
    26   1     0.07  -0.04   0.16     0.08  -0.16   0.21     0.03  -0.08   0.09
    27   1     0.02  -0.01   0.13     0.02  -0.06  -0.08     0.01  -0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --    913.0893               952.1969               963.7852
 Red. masses --      1.9413                 1.9210                 1.5680
 Frc consts  --      0.9536                 1.0262                 0.8581
 IR Inten    --      1.1701                 1.7604                 1.2755
 RamAct Fr= 1--     21.0025                 4.5507                 2.1268
  Dep-P Fr= 1--      0.4313                 0.5298                 0.7142
  Dep-U Fr= 1--      0.6026                 0.6926                 0.8333
 Alpha2 Fr= 1--      0.1386                 0.0194                 0.0013
 Beta2  Fr= 1--      2.1095                 0.5253                 0.2954
 AlphaG Fr= 1--     -0.3567                -0.0081                 0.0151
 Gamma2 Fr= 1--     -0.1991                -1.4102                -1.0458
 Delta2 Fr= 1--      0.2103                -1.5075                -0.1509
 Raman1 Fr= 1--      84.010                 18.203                  8.507
 ROA1   Fr= 1--     -12.381               -183.621               -105.223
 CID1   Fr= 1--      -0.147                -10.088                -12.369
 Raman2 Fr= 1--      25.314                  6.304                  3.544
 ROA2   Fr= 1--      -6.460                -21.785                -23.891
 CID2   Fr= 1--      -0.255                 -3.456                 -6.741
 Raman3 Fr= 1--      50.627                 12.608                  7.089
 ROA3   Fr= 1--     -12.381               -183.621               -105.223
 CID3   Fr= 1--      -0.245                -14.564                -14.844
 RC180  Fr= 1--       0.205                  0.385                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.14    -0.01   0.07   0.05    -0.01   0.06   0.06
     2   6    -0.06  -0.01  -0.09    -0.01   0.08  -0.03    -0.00   0.02  -0.06
     3   6     0.05  -0.05  -0.07     0.02   0.00   0.00    -0.03   0.06   0.03
     4   6    -0.03   0.05   0.02    -0.03   0.01  -0.01     0.03  -0.04  -0.00
     5   6    -0.01  -0.05  -0.03    -0.01  -0.01  -0.00     0.01   0.03   0.02
     6   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.04  -0.02     0.01  -0.10  -0.02     0.02  -0.06  -0.07
     9   6    -0.06   0.10  -0.03     0.13  -0.07  -0.08    -0.07   0.03   0.03
    10   6     0.10   0.03   0.06    -0.12   0.09   0.07     0.04  -0.10  -0.06
    11   6    -0.00   0.01   0.02     0.01   0.00   0.00    -0.01  -0.01  -0.01
    12   1    -0.20  -0.18  -0.04     0.03  -0.23  -0.07    -0.00   0.03  -0.01
    13   1     0.07   0.30   0.21     0.27  -0.29  -0.09    -0.17   0.27   0.08
    14   1     0.08  -0.33  -0.21     0.01  -0.11  -0.06     0.01   0.24   0.12
    15   1     0.04  -0.22  -0.15    -0.28  -0.04   0.01     0.24   0.05   0.01
    16   1     0.16   0.34  -0.11    -0.28   0.17   0.04     0.06  -0.23   0.01
    17   1     0.09   0.02   0.24    -0.03  -0.06  -0.38    -0.02  -0.05  -0.30
    18   1     0.07   0.03   0.22     0.04  -0.15   0.25     0.04  -0.14   0.26
    19   1     0.02   0.03  -0.04     0.09  -0.15   0.23     0.09  -0.13   0.21
    20   1    -0.01   0.14  -0.01    -0.02   0.16   0.01    -0.11   0.37  -0.01
    21   1     0.05  -0.16   0.08     0.05  -0.21   0.15     0.00  -0.13   0.19
    22   1     0.04  -0.02   0.05     0.08  -0.18   0.15     0.10  -0.29   0.22
    23   1    -0.06  -0.15  -0.10    -0.05  -0.01  -0.03     0.05   0.03   0.03
    24   1    -0.10   0.21   0.14    -0.01   0.04   0.02     0.05  -0.17  -0.11
    25   1     0.00   0.01  -0.06    -0.02   0.01  -0.02     0.02  -0.02   0.05
    26   1     0.02  -0.06   0.07    -0.01  -0.00  -0.01     0.01   0.03  -0.01
    27   1     0.01  -0.04  -0.02     0.00  -0.02   0.03    -0.01   0.04  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    971.5727               998.4452              1009.4657
 Red. masses --      1.6844                 1.6965                 1.4519
 Frc consts  --      0.9368                 0.9964                 0.8717
 IR Inten    --      0.9153                12.9928                 7.1808
 RamAct Fr= 1--     10.1269                42.7462                 8.5971
  Dep-P Fr= 1--      0.7500                 0.2862                 0.3706
  Dep-U Fr= 1--      0.8571                 0.4451                 0.5408
 Alpha2 Fr= 1--      0.0000                 0.4567                 0.0705
 Beta2  Fr= 1--      1.4467                 3.1708                 0.7749
 AlphaG Fr= 1--      0.0007                -0.0251                 0.1793
 Gamma2 Fr= 1--      0.7362                 3.3828                -1.2901
 Delta2 Fr= 1--     -0.7348                 0.8274                -1.1597
 Raman1 Fr= 1--      40.507                170.985                 34.389
 ROA1   Fr= 1--      47.159                351.223               -160.959
 CID1   Fr= 1--       1.164                  2.054                 -4.681
 Raman2 Fr= 1--      17.360                 38.049                  9.299
 ROA2   Fr= 1--      23.547                 74.568                -21.685
 CID2   Fr= 1--       1.356                  1.960                 -2.332
 Raman3 Fr= 1--      34.721                 76.099                 18.597
 ROA3   Fr= 1--      47.159                351.223               -160.959
 CID3   Fr= 1--       1.358                  4.615                 -8.655
 RC180  Fr= 1--       0.714                 -0.110                  0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.08   0.05     0.04  -0.05   0.03    -0.08   0.01  -0.01
     2   6     0.01  -0.04  -0.06     0.01  -0.09  -0.05    -0.01   0.02   0.03
     3   6     0.00   0.13   0.04    -0.01  -0.01   0.06     0.03  -0.06  -0.03
     4   6     0.01  -0.05  -0.03    -0.02  -0.01  -0.01    -0.01   0.02   0.02
     5   6    -0.01   0.04   0.03    -0.06   0.03  -0.04    -0.05   0.00  -0.06
     6   6    -0.01   0.01  -0.01     0.02  -0.02   0.04     0.01  -0.02   0.03
     7   8     0.01   0.00  -0.00    -0.03  -0.02   0.03    -0.03  -0.02   0.03
     8   6     0.02   0.03  -0.01    -0.06   0.04  -0.09     0.08   0.01   0.02
     9   6     0.08   0.01  -0.07     0.05  -0.00   0.04    -0.02  -0.01   0.01
    10   6    -0.07  -0.05   0.04    -0.02   0.06  -0.01     0.01   0.02  -0.02
    11   6    -0.01  -0.02  -0.00     0.09   0.03  -0.03     0.09   0.03  -0.01
    12   1    -0.09  -0.37  -0.10     0.13   0.18   0.06     0.03  -0.14  -0.08
    13   1     0.23   0.24   0.21    -0.02  -0.04  -0.06    -0.06   0.05   0.01
    14   1    -0.02   0.23   0.09     0.05   0.01   0.07     0.10   0.10   0.05
    15   1    -0.03  -0.09  -0.02    -0.05   0.11   0.05     0.21   0.09  -0.02
    16   1    -0.28   0.01   0.02    -0.00   0.00   0.02    -0.17  -0.08   0.04
    17   1     0.14   0.06   0.39    -0.02   0.01   0.30     0.12   0.02  -0.13
    18   1     0.07   0.14   0.08    -0.06   0.06  -0.20     0.12  -0.01   0.33
    19   1    -0.03   0.12  -0.33    -0.06   0.06   0.06     0.05  -0.01  -0.30
    20   1    -0.05  -0.02  -0.00    -0.01   0.47  -0.06    -0.11  -0.18   0.04
    21   1    -0.05   0.13  -0.05     0.09  -0.24   0.17    -0.15   0.32  -0.10
    22   1    -0.02  -0.08  -0.01     0.07   0.10   0.10    -0.04  -0.26   0.01
    23   1    -0.05   0.03   0.02     0.10   0.03  -0.01     0.09   0.00  -0.01
    24   1     0.02  -0.26  -0.15     0.02  -0.01  -0.07    -0.05   0.12   0.01
    25   1     0.03  -0.04   0.08    -0.20   0.12  -0.18    -0.18   0.12  -0.19
    26   1     0.01   0.03  -0.01    -0.18   0.06  -0.24    -0.16   0.03  -0.19
    27   1    -0.01   0.05  -0.02     0.02  -0.21   0.35     0.02  -0.21   0.32
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1024.1017              1027.2323              1050.5931
 Red. masses --      1.1525                 1.6953                 1.8800
 Frc consts  --      0.7122                 1.0540                 1.2225
 IR Inten    --     33.0745                 4.5664                 0.7627
 RamAct Fr= 1--      1.8752                 8.2741                 1.6321
  Dep-P Fr= 1--      0.6627                 0.6064                 0.6798
  Dep-U Fr= 1--      0.7971                 0.7550                 0.8094
 Alpha2 Fr= 1--      0.0029                 0.0219                 0.0020
 Beta2  Fr= 1--      0.2491                 1.0412                 0.2202
 AlphaG Fr= 1--     -0.1804                -0.2234                -0.0198
 Gamma2 Fr= 1--     -0.1119                -1.8461                -0.2087
 Delta2 Fr= 1--      0.9723                -1.2236                 0.0022
 Raman1 Fr= 1--       7.501                 33.097                  6.528
 ROA1   Fr= 1--      20.374               -216.381                -19.965
 CID1   Fr= 1--       2.716                 -6.538                 -3.058
 Raman2 Fr= 1--       2.990                 12.494                  2.642
 ROA2   Fr= 1--     -10.464                -34.517                 -5.027
 CID2   Fr= 1--      -3.500                 -2.763                 -1.903
 Raman3 Fr= 1--       5.979                 24.988                  5.284
 ROA3   Fr= 1--      20.374               -216.381                -19.965
 CID3   Fr= 1--       3.407                 -8.660                 -3.778
 RC180  Fr= 1--       0.594                  0.510                  0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00     0.06   0.04   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.02  -0.00    -0.00   0.07  -0.01    -0.00  -0.00   0.00
     3   6    -0.01   0.01   0.02     0.02   0.10  -0.01     0.00  -0.01  -0.00
     4   6     0.01  -0.07  -0.04     0.03  -0.06  -0.00    -0.01   0.04   0.03
     5   6     0.02  -0.05  -0.02    -0.04   0.02  -0.04     0.01  -0.06  -0.04
     6   6    -0.01   0.03   0.01    -0.00   0.00   0.02    -0.04   0.17   0.11
     7   8     0.01  -0.00  -0.01    -0.02  -0.02   0.02     0.01  -0.03  -0.02
     8   6     0.01   0.01  -0.02    -0.04  -0.05   0.09     0.00   0.00   0.00
     9   6     0.01  -0.00   0.01    -0.05   0.01  -0.06    -0.00  -0.00   0.00
    10   6    -0.01   0.01  -0.01    -0.00  -0.09   0.01     0.00   0.00   0.00
    11   6    -0.01  -0.02  -0.01     0.07   0.01  -0.01     0.03  -0.13  -0.08
    12   1     0.03   0.02   0.01    -0.17  -0.18  -0.05     0.00   0.00   0.00
    13   1    -0.00   0.01  -0.00     0.05   0.17   0.13    -0.00  -0.01  -0.01
    14   1    -0.04   0.00   0.01     0.15  -0.02  -0.07     0.00   0.01   0.00
    15   1     0.03   0.04   0.01    -0.01  -0.14  -0.03    -0.01  -0.00  -0.00
    16   1     0.00  -0.01   0.00     0.03  -0.03  -0.03    -0.01   0.00   0.00
    17   1     0.03   0.01   0.03    -0.13  -0.03  -0.09     0.00   0.00   0.00
    18   1     0.03   0.01   0.06    -0.09  -0.05  -0.18    -0.00   0.00  -0.01
    19   1     0.00   0.01  -0.08    -0.01  -0.03   0.33     0.00  -0.00   0.00
    20   1    -0.04   0.09  -0.01     0.19  -0.34   0.02    -0.00  -0.01   0.00
    21   1    -0.02   0.02   0.03     0.12  -0.18  -0.09    -0.00   0.01  -0.00
    22   1     0.02  -0.07   0.04    -0.04   0.31  -0.17    -0.00   0.00  -0.00
    23   1    -0.11   0.59   0.37     0.02   0.18   0.14     0.05  -0.25  -0.16
    24   1    -0.10   0.55   0.35    -0.10   0.10   0.01    -0.00   0.01   0.01
    25   1     0.03  -0.04   0.09    -0.14   0.07  -0.08     0.03  -0.18   0.57
    26   1     0.02   0.04  -0.01    -0.14   0.06  -0.18    -0.08   0.42  -0.42
    27   1    -0.01   0.07  -0.03     0.01  -0.14   0.28    -0.06   0.27   0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1098.3671              1159.2260              1183.7429
 Red. masses --      1.8148                 2.0627                 1.8543
 Frc consts  --      1.2900                 1.6331                 1.5309
 IR Inten    --     10.9360                 6.2171                15.5323
 RamAct Fr= 1--     51.5770                61.8797                27.1467
  Dep-P Fr= 1--      0.2477                 0.3336                 0.3542
  Dep-U Fr= 1--      0.3971                 0.5003                 0.5232
 Alpha2 Fr= 1--      0.6151                 0.5725                 0.2351
 Beta2  Fr= 1--      3.4137                 5.1598                 2.3670
 AlphaG Fr= 1--      0.3724                -0.4526                -0.2148
 Gamma2 Fr= 1--      1.8821                -6.2867                 1.0709
 Delta2 Fr= 1--      4.1588                -0.7060                 1.4833
 Raman1 Fr= 1--     206.308                247.519                108.587
 ROA1   Fr= 1--     313.765               -626.119                150.269
 CID1   Fr= 1--       1.521                 -2.530                  1.384
 Raman2 Fr= 1--      40.964                 61.917                 28.404
 ROA2   Fr= 1--      11.901               -145.234                 13.835
 CID2   Fr= 1--       0.291                 -2.346                  0.487
 Raman3 Fr= 1--      81.928                123.834                 56.808
 ROA3   Fr= 1--     313.765               -626.119                150.269
 CID3   Fr= 1--       3.830                 -5.056                  2.645
 RC180  Fr= 1--      -0.206                  0.001                  0.046
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02     0.01   0.04  -0.03    -0.10   0.01   0.03
     2   6     0.02  -0.04   0.04     0.06  -0.06   0.06     0.18   0.00  -0.07
     3   6     0.16   0.13  -0.03     0.17  -0.11   0.06    -0.03   0.01   0.02
     4   6    -0.03  -0.00  -0.05    -0.12   0.06  -0.09    -0.01   0.00   0.00
     5   6    -0.03  -0.00   0.01    -0.03  -0.03   0.02    -0.01   0.00   0.00
     6   6    -0.02   0.01  -0.02     0.01  -0.01  -0.00     0.01  -0.00   0.01
     7   8     0.00  -0.01   0.01     0.02   0.01  -0.01     0.00   0.00  -0.00
     8   6     0.01   0.03  -0.03    -0.06   0.03  -0.01    -0.07  -0.00   0.04
     9   6    -0.04  -0.02   0.03    -0.05  -0.00  -0.05     0.01  -0.10   0.03
    10   6    -0.01  -0.09   0.05     0.01   0.02   0.02    -0.09   0.04  -0.03
    11   6     0.03  -0.00   0.01    -0.02  -0.00   0.00    -0.01  -0.00  -0.00
    12   1    -0.05   0.41   0.20    -0.09  -0.24  -0.11     0.16   0.03  -0.03
    13   1    -0.08  -0.23  -0.13     0.00   0.23   0.14    -0.16   0.31   0.10
    14   1     0.10  -0.01  -0.10     0.12   0.55   0.40     0.04  -0.16  -0.07
    15   1    -0.44  -0.31   0.01     0.10   0.01  -0.03     0.03   0.16   0.03
    16   1     0.25   0.11  -0.07    -0.19  -0.02   0.05     0.48   0.06  -0.05
    17   1     0.06   0.01  -0.10    -0.04  -0.01  -0.15     0.19   0.03  -0.11
    18   1     0.06  -0.02   0.16    -0.02  -0.06  -0.03     0.12   0.01   0.37
    19   1     0.04  -0.03  -0.17     0.03  -0.05   0.09     0.09  -0.08  -0.24
    20   1    -0.06   0.12  -0.01     0.06   0.10  -0.02     0.19  -0.07  -0.01
    21   1    -0.04   0.08   0.02     0.06  -0.12   0.02     0.11  -0.17  -0.07
    22   1     0.02  -0.08   0.05     0.01   0.24  -0.02    -0.01   0.31  -0.08
    23   1    -0.29  -0.02  -0.04    -0.24   0.04  -0.09     0.05  -0.02  -0.02
    24   1    -0.15  -0.07  -0.02     0.09   0.07   0.07     0.04  -0.01  -0.01
    25   1    -0.04   0.02  -0.01     0.03  -0.02   0.02     0.01  -0.01   0.00
    26   1    -0.04  -0.00  -0.04     0.03  -0.02   0.04     0.01   0.01   0.01
    27   1     0.01  -0.05   0.10    -0.00   0.04  -0.07    -0.00   0.02  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1200.0085              1224.8828              1246.2475
 Red. masses --      1.7103                 1.4930                 1.6681
 Frc consts  --      1.4511                 1.3197                 1.5265
 IR Inten    --      0.8222                 9.6472                16.3157
 RamAct Fr= 1--     35.4878                 9.8489                31.1625
  Dep-P Fr= 1--      0.3597                 0.5470                 0.3382
  Dep-U Fr= 1--      0.5291                 0.7072                 0.5055
 Alpha2 Fr= 1--      0.3018                 0.0383                 0.2841
 Beta2  Fr= 1--      3.1293                 1.1608                 2.6253
 AlphaG Fr= 1--      0.1586                -0.0923                -0.1403
 Gamma2 Fr= 1--      2.9270                -4.1690                -3.4496
 Delta2 Fr= 1--     -0.9942                -2.9896                -3.5941
 Raman1 Fr= 1--     141.951                 39.395                124.650
 ROA1   Fr= 1--     249.177               -495.886               -446.175
 CID1   Fr= 1--       1.755                -12.587                 -3.579
 Raman2 Fr= 1--      37.551                 13.929                 31.504
 ROA2   Fr= 1--      78.201                -76.138                -54.039
 CID2   Fr= 1--       2.083                 -5.466                 -1.715
 Raman3 Fr= 1--      75.103                 27.859                 63.008
 ROA3   Fr= 1--     249.177               -495.886               -446.175
 CID3   Fr= 1--       3.318                -17.800                 -7.081
 RC180  Fr= 1--       0.058                  0.414                  0.011
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02   0.02     0.04   0.03  -0.01     0.01  -0.07  -0.02
     2   6    -0.10   0.05  -0.07    -0.11  -0.07   0.01     0.01   0.16   0.08
     3   6     0.06   0.02   0.09     0.02  -0.02  -0.03     0.03  -0.03  -0.03
     4   6    -0.11  -0.00  -0.06     0.04   0.01   0.01     0.01   0.01  -0.00
     5   6    -0.04  -0.00   0.00     0.03   0.00   0.00     0.02  -0.00   0.01
     6   6     0.03  -0.01   0.03    -0.03   0.01  -0.03    -0.03   0.01  -0.03
     7   8     0.02   0.02  -0.02    -0.01  -0.01   0.01    -0.00  -0.00   0.01
     8   6     0.05  -0.01   0.03     0.05   0.03   0.00    -0.01  -0.05  -0.04
     9   6     0.03  -0.02   0.06     0.06  -0.07   0.01    -0.01   0.05   0.07
    10   6    -0.02  -0.00  -0.06    -0.04   0.05  -0.02    -0.07  -0.04  -0.04
    11   6    -0.03  -0.00  -0.01     0.02   0.00   0.01     0.02   0.00   0.01
    12   1     0.14   0.00  -0.01     0.15  -0.08  -0.04     0.11  -0.54  -0.24
    13   1    -0.12   0.08  -0.01    -0.10   0.57   0.24    -0.07  -0.18  -0.13
    14   1     0.69  -0.26  -0.05    -0.25   0.12   0.03    -0.01   0.19   0.08
    15   1    -0.12   0.11   0.08    -0.33   0.05   0.08    -0.09   0.02   0.03
    16   1     0.12  -0.14   0.01     0.37   0.06  -0.04     0.51  -0.03  -0.07
    17   1    -0.04  -0.00   0.10    -0.12  -0.02  -0.06     0.03   0.01   0.19
    18   1    -0.02   0.02  -0.07    -0.05  -0.08  -0.08     0.01   0.14  -0.13
    19   1    -0.03   0.03   0.07    -0.00  -0.02   0.20    -0.09   0.12  -0.14
    20   1    -0.05  -0.17   0.03    -0.11  -0.04   0.02    -0.01   0.09  -0.02
    21   1    -0.03   0.11  -0.04    -0.08   0.19  -0.03     0.03  -0.16   0.14
    22   1    -0.04  -0.16  -0.02    -0.03  -0.10  -0.04     0.07  -0.08   0.12
    23   1     0.06   0.05  -0.06    -0.13  -0.03   0.01    -0.09  -0.02  -0.01
    24   1     0.39   0.06  -0.01    -0.17  -0.02   0.01    -0.04   0.00   0.02
    25   1     0.05  -0.02   0.02    -0.03   0.01  -0.00    -0.03   0.01   0.01
    26   1     0.04   0.01   0.03    -0.02  -0.02  -0.01    -0.02  -0.03  -0.00
    27   1    -0.01   0.07  -0.11     0.01  -0.04   0.07     0.01  -0.04   0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1258.3447              1275.9985              1279.1478
 Red. masses --      1.4693                 2.5264                 1.6112
 Frc consts  --      1.3707                 2.4235                 1.5532
 IR Inten    --      7.3910               127.9468                 6.1655
 RamAct Fr= 1--     32.2611                43.5524                 3.9292
  Dep-P Fr= 1--      0.3121                 0.3119                 0.7070
  Dep-U Fr= 1--      0.4757                 0.4755                 0.8284
 Alpha2 Fr= 1--      0.3191                 0.4309                 0.0029
 Beta2  Fr= 1--      2.5577                 3.4518                 0.5425
 AlphaG Fr= 1--      0.0144                 0.0969                 0.0204
 Gamma2 Fr= 1--      0.3137                 1.3659                 2.9989
 Delta2 Fr= 1--      1.0875                 0.5919                 2.3386
 Raman1 Fr= 1--     129.044                174.210                 15.717
 ROA1   Fr= 1--      64.917                150.065                362.729
 CID1   Fr= 1--       0.503                  0.861                 23.079
 Raman2 Fr= 1--      30.692                 41.422                  6.510
 ROA2   Fr= 1--      -1.171                 28.046                 53.265
 CID2   Fr= 1--      -0.038                  0.677                  8.183
 Raman3 Fr= 1--      61.384                 82.844                 13.019
 ROA3   Fr= 1--      64.917                150.065                362.729
 CID3   Fr= 1--       1.058                  1.811                 27.861
 RC180  Fr= 1--      -0.049                 -0.049                  0.657
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.01   0.01   0.01    -0.01   0.04   0.03
     2   6    -0.03  -0.02   0.06    -0.02  -0.03  -0.01     0.01  -0.10  -0.12
     3   6    -0.01  -0.01  -0.06     0.00  -0.00  -0.06    -0.05  -0.01  -0.05
     4   6    -0.03  -0.02   0.04     0.01  -0.01   0.02    -0.01  -0.03   0.04
     5   6    -0.01  -0.00  -0.00    -0.08   0.04  -0.09    -0.01  -0.00  -0.00
     6   6    -0.02   0.01  -0.02     0.21  -0.09   0.22    -0.04   0.02  -0.04
     7   8     0.01   0.00  -0.00    -0.03   0.01  -0.03     0.02   0.00   0.00
     8   6     0.02   0.00  -0.02     0.01   0.01   0.00    -0.00   0.03   0.04
     9   6     0.04  -0.01  -0.07     0.02   0.04   0.02     0.00   0.09   0.07
    10   6    -0.11  -0.04   0.09    -0.04  -0.02   0.04     0.03  -0.01   0.02
    11   6     0.00   0.00   0.00    -0.08   0.00  -0.03     0.01   0.00   0.00
    12   1    -0.13   0.27   0.16     0.02  -0.09  -0.04     0.12  -0.22  -0.13
    13   1     0.16   0.03   0.06     0.04  -0.14  -0.06     0.03  -0.34  -0.16
    14   1     0.19   0.18   0.04     0.01   0.30   0.08    -0.02   0.40   0.15
    15   1     0.52  -0.00  -0.12    -0.04  -0.07  -0.01    -0.36  -0.11   0.06
    16   1     0.39   0.24  -0.08     0.29   0.13  -0.05     0.12   0.11  -0.04
    17   1    -0.04  -0.01  -0.02    -0.03  -0.01  -0.01    -0.00  -0.00  -0.09
    18   1    -0.02  -0.01  -0.06    -0.02  -0.02  -0.01    -0.00  -0.09   0.11
    19   1    -0.01   0.01   0.02     0.01  -0.01   0.04     0.07  -0.09   0.08
    20   1    -0.06   0.06  -0.00    -0.04  -0.01   0.01     0.02  -0.11   0.02
    21   1    -0.04   0.06   0.03    -0.02   0.05  -0.01     0.02   0.06  -0.12
    22   1     0.02  -0.05   0.03    -0.02  -0.02  -0.03    -0.08   0.06  -0.12
    23   1     0.24   0.02   0.03     0.13   0.02   0.02     0.17   0.03   0.06
    24   1     0.38   0.08   0.01    -0.50  -0.03  -0.09     0.46   0.10   0.01
    25   1     0.00  -0.00   0.02     0.11  -0.02  -0.18    -0.00  -0.00   0.04
    26   1     0.00  -0.02   0.01     0.06   0.20  -0.05     0.01  -0.04   0.02
    27   1    -0.01  -0.04   0.05    -0.01   0.26  -0.42    -0.01  -0.05   0.08
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1288.2398              1316.1144              1337.5015
 Red. masses --      1.7199                 1.8053                 1.3493
 Frc consts  --      1.6817                 1.8424                 1.4221
 IR Inten    --      8.1760                 7.2041                 0.3968
 RamAct Fr= 1--      3.0648                 1.3316                31.1374
  Dep-P Fr= 1--      0.7467                 0.7311                 0.2685
  Dep-U Fr= 1--      0.8550                 0.8447                 0.4233
 Alpha2 Fr= 1--      0.0002                 0.0004                 0.3502
 Beta2  Fr= 1--      0.4367                 0.1875                 2.1969
 AlphaG Fr= 1--      0.0049                -0.0112                 0.0720
 Gamma2 Fr= 1--     -1.7405                 1.2339                -0.0643
 Delta2 Fr= 1--     -2.2752                 1.1118                 0.2863
 Raman1 Fr= 1--      12.259                  5.327                124.550
 ROA1   Fr= 1--    -239.896                154.031                  2.991
 CID1   Fr= 1--     -19.569                 28.917                  0.024
 Raman2 Fr= 1--       5.241                  2.250                 26.363
 ROA2   Fr= 1--     -23.571                 20.719                 -3.833
 CID2   Fr= 1--      -4.498                  9.210                 -0.145
 Raman3 Fr= 1--      10.482                  4.499                 52.726
 ROA3   Fr= 1--    -239.896                154.031                  2.991
 CID3   Fr= 1--     -22.887                 34.235                  0.057
 RC180  Fr= 1--       0.710                  0.689                 -0.153
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02    -0.00   0.05  -0.02    -0.00   0.00   0.01
     2   6    -0.04  -0.08  -0.10     0.03  -0.15   0.16     0.00  -0.02   0.01
     3   6     0.04  -0.01   0.09     0.01   0.08  -0.00    -0.02   0.01  -0.02
     4   6     0.02   0.04  -0.06    -0.01  -0.02   0.03    -0.01   0.05  -0.09
     5   6     0.06  -0.01   0.03    -0.04   0.01  -0.02    -0.01  -0.07   0.11
     6   6    -0.03   0.02  -0.03     0.01  -0.01   0.02    -0.02   0.01  -0.03
     7   8    -0.01  -0.01   0.01     0.01   0.01  -0.01     0.00  -0.00   0.01
     8   6     0.01   0.03   0.04    -0.01   0.03  -0.04     0.00   0.00  -0.00
     9   6     0.02   0.09   0.03    -0.01   0.07   0.00    -0.00   0.00   0.00
    10   6    -0.10  -0.02  -0.01    -0.02   0.00  -0.04     0.01  -0.00   0.01
    11   6     0.02  -0.00   0.01    -0.01  -0.00  -0.00    -0.00   0.01  -0.01
    12   1     0.03  -0.10  -0.05     0.01  -0.51  -0.23     0.01  -0.03  -0.02
    13   1     0.09  -0.34  -0.16     0.07   0.03   0.05     0.01   0.01   0.01
    14   1    -0.03  -0.18  -0.01     0.01  -0.52  -0.30     0.16   0.05  -0.00
    15   1     0.54   0.19  -0.05     0.02   0.09   0.03    -0.11  -0.02   0.03
    16   1     0.19   0.01  -0.03     0.03  -0.06  -0.01     0.00   0.04  -0.01
    17   1    -0.05  -0.01  -0.06    -0.05  -0.03  -0.25     0.02  -0.01  -0.06
    18   1    -0.02  -0.10   0.04    -0.08  -0.10  -0.09    -0.03   0.02  -0.04
    19   1     0.05  -0.06   0.11     0.08  -0.05  -0.07     0.02  -0.01  -0.03
    20   1    -0.00  -0.13   0.02    -0.05   0.18  -0.02    -0.01   0.02   0.00
    21   1     0.01   0.07  -0.10    -0.07   0.08   0.06    -0.01   0.01   0.00
    22   1    -0.08  -0.01  -0.09     0.05   0.07   0.04     0.00   0.01  -0.00
    23   1    -0.29  -0.03  -0.06     0.11  -0.02   0.01     0.80   0.22  -0.10
    24   1    -0.42  -0.12   0.02     0.22   0.03  -0.03    -0.41  -0.15   0.11
    25   1    -0.04   0.01   0.02     0.02  -0.01  -0.01     0.02  -0.01   0.07
    26   1    -0.03  -0.03  -0.01     0.02   0.02   0.00     0.03  -0.05   0.04
    27   1     0.01  -0.03   0.05    -0.01   0.02  -0.02    -0.02  -0.06   0.09
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1387.2563              1391.4858              1405.5931
 Red. masses --      1.4413                 1.3678                 1.3103
 Frc consts  --      1.6343                 1.5604                 1.5252
 IR Inten    --     36.1194                 9.5988                11.8555
 RamAct Fr= 1--      1.2482                 4.8692                 0.8515
  Dep-P Fr= 1--      0.1421                 0.4127                 0.2940
  Dep-U Fr= 1--      0.2488                 0.5843                 0.4544
 Alpha2 Fr= 1--      0.0197                 0.0344                 0.0089
 Beta2  Fr= 1--      0.0518                 0.4742                 0.0645
 AlphaG Fr= 1--      0.0125                 0.0021                -0.0089
 Gamma2 Fr= 1--     -0.0997                -0.6214                 0.0705
 Delta2 Fr= 1--      0.0413                 0.0108                 0.1454
 Raman1 Fr= 1--       4.993                 19.477                  3.406
 ROA1   Fr= 1--      -8.250                -59.312                 11.420
 CID1   Fr= 1--      -1.653                 -3.045                  3.353
 Raman2 Fr= 1--       0.621                  5.690                  0.774
 ROA2   Fr= 1--      -2.724                -15.001                  0.529
 CID2   Fr= 1--      -4.385                 -2.636                  0.684
 Raman3 Fr= 1--       1.242                 11.380                  1.548
 ROA3   Fr= 1--      -8.250                -59.312                 11.420
 CID3   Fr= 1--      -6.641                 -5.212                  7.380
 RC180  Fr= 1--      -0.502                  0.169                 -0.091
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01    -0.00   0.01   0.02     0.02  -0.01   0.09
     2   6     0.01  -0.02   0.03     0.02  -0.02   0.03    -0.01   0.03  -0.04
     3   6    -0.09  -0.02  -0.01    -0.11  -0.02  -0.01     0.03  -0.00   0.01
     4   6     0.01   0.01  -0.01     0.02   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.07   0.01   0.01     0.07   0.03  -0.03    -0.01  -0.00   0.00
     6   6    -0.04   0.02  -0.05     0.02  -0.01   0.02    -0.00  -0.00  -0.00
     7   8    -0.00  -0.01   0.01    -0.02  -0.01   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01     0.03  -0.11   0.03
     9   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00  -0.01   0.01
    10   6     0.02   0.00   0.01     0.02   0.00   0.02    -0.01   0.00  -0.00
    11   6     0.03  -0.06   0.11    -0.01   0.05  -0.08    -0.00  -0.00   0.00
    12   1     0.03  -0.01  -0.03     0.04  -0.01  -0.03    -0.01   0.04   0.03
    13   1     0.06   0.01   0.05     0.07   0.01   0.05    -0.04  -0.02  -0.03
    14   1     0.49   0.07   0.04     0.59   0.09   0.05    -0.16   0.02   0.02
    15   1    -0.09  -0.03   0.03    -0.10  -0.04   0.02     0.03  -0.01  -0.03
    16   1    -0.01   0.05  -0.01     0.00   0.06  -0.01     0.01  -0.05   0.02
    17   1     0.01  -0.01  -0.08     0.00  -0.03  -0.11    -0.02  -0.13  -0.32
    18   1    -0.04  -0.01  -0.05    -0.06  -0.02  -0.08    -0.18   0.09  -0.31
    19   1     0.04  -0.01  -0.07     0.05  -0.00  -0.11     0.05   0.14  -0.33
    20   1     0.00   0.05  -0.00     0.00   0.07   0.00    -0.07   0.39   0.08
    21   1    -0.04   0.04   0.00    -0.06   0.06   0.00    -0.25   0.32  -0.16
    22   1     0.03   0.05   0.01     0.03   0.07   0.00     0.05   0.38  -0.22
    23   1    -0.13  -0.01  -0.01    -0.32  -0.06   0.01     0.01   0.00   0.00
    24   1    -0.11  -0.02   0.01    -0.22  -0.02  -0.04     0.05   0.01   0.00
    25   1    -0.14   0.05  -0.46     0.05  -0.02   0.37     0.00  -0.00  -0.02
    26   1    -0.20   0.34  -0.28     0.11  -0.30   0.19    -0.00   0.02  -0.01
    27   1     0.11   0.22  -0.32    -0.06  -0.16   0.24     0.00   0.01  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1421.6368              1471.4374              1479.9732
 Red. masses --      1.2283                 1.0568                 1.0473
 Frc consts  --      1.4626                 1.3481                 1.3515
 IR Inten    --      3.2955                10.2988                10.6960
 RamAct Fr= 1--      1.2620                 4.7148                 5.2498
  Dep-P Fr= 1--      0.7331                 0.7390                 0.7499
  Dep-U Fr= 1--      0.8460                 0.8499                 0.8571
 Alpha2 Fr= 1--      0.0004                 0.0009                 0.0000
 Beta2  Fr= 1--      0.1779                 0.6678                 0.7499
 AlphaG Fr= 1--      0.0016                 0.0030                 0.0006
 Gamma2 Fr= 1--      0.1988                -0.5822                -0.4891
 Delta2 Fr= 1--      0.0999                -0.2941                -0.3478
 Raman1 Fr= 1--       5.048                 18.859                 20.999
 ROA1   Fr= 1--      22.282                -65.299                -58.085
 CID1   Fr= 1--       4.414                 -3.462                 -2.766
 Raman2 Fr= 1--       2.135                  8.014                  8.999
 ROA2   Fr= 1--       3.972                -11.619                 -8.957
 CID2   Fr= 1--       1.860                 -1.450                 -0.995
 Raman3 Fr= 1--       4.271                 16.028                 17.998
 ROA3   Fr= 1--      22.282                -65.299                -58.085
 CID3   Fr= 1--       5.217                 -4.074                 -3.227
 RC180  Fr= 1--       0.692                  0.700                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.10    -0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.01  -0.02     0.00  -0.02  -0.01
     7   8    -0.00  -0.00   0.00    -0.02  -0.01   0.02     0.00   0.00   0.00
     8   6     0.02  -0.09   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.05  -0.01  -0.01     0.01  -0.05  -0.03
    12   1     0.06  -0.02  -0.05     0.01   0.00  -0.00    -0.01  -0.00   0.01
    13   1     0.05  -0.04   0.03     0.01  -0.00   0.01    -0.01   0.00  -0.01
    14   1     0.07  -0.03  -0.01     0.03   0.00   0.01    -0.00   0.00   0.00
    15   1    -0.01   0.03   0.03    -0.00   0.01   0.01     0.00   0.01   0.01
    16   1    -0.01   0.03  -0.02    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    17   1     0.02   0.14   0.38     0.02   0.01   0.01     0.02   0.01   0.02
    18   1     0.24  -0.04   0.36    -0.01   0.00  -0.01    -0.01  -0.01  -0.01
    19   1    -0.11  -0.11   0.41     0.02  -0.02   0.00     0.02  -0.03  -0.00
    20   1    -0.05   0.33   0.05    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    21   1    -0.25   0.29  -0.08    -0.00   0.00   0.01    -0.01   0.00   0.02
    22   1     0.09   0.35  -0.13     0.00   0.01   0.00     0.01   0.01   0.00
    23   1     0.01   0.00  -0.01    -0.05  -0.01  -0.00     0.00  -0.01  -0.00
    24   1    -0.02  -0.01  -0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.01     0.52  -0.12  -0.33    -0.44   0.11  -0.19
    26   1    -0.00  -0.01   0.00     0.41   0.49   0.06     0.40  -0.01   0.26
    27   1    -0.00  -0.00   0.00    -0.10  -0.23   0.35    -0.12   0.61   0.37
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.4752              1486.8291              1493.0115
 Red. masses --      1.0697                 1.0460                 1.0651
 Frc consts  --      1.3870                 1.3624                 1.3988
 IR Inten    --      0.8346                 0.3767                 6.9142
 RamAct Fr= 1--      7.9428                 9.7812                11.4978
  Dep-P Fr= 1--      0.7033                 0.7317                 0.7087
  Dep-U Fr= 1--      0.8258                 0.8451                 0.8295
 Alpha2 Fr= 1--      0.0064                 0.0031                 0.0082
 Beta2  Fr= 1--      1.0932                 1.3776                 1.5896
 AlphaG Fr= 1--      0.0140                 0.0108                -0.0351
 Gamma2 Fr= 1--      2.3844                -1.6442                -1.5310
 Delta2 Fr= 1--      0.6018                -1.1997                 0.4473
 Raman1 Fr= 1--      31.771                 39.125                 45.991
 ROA1   Fr= 1--     248.161               -196.231               -132.663
 CID1   Fr= 1--       7.811                 -5.016                 -2.885
 Raman2 Fr= 1--      13.119                 16.531                 19.075
 ROA2   Fr= 1--      52.412                -29.863                -40.323
 CID2   Fr= 1--       3.995                 -1.806                 -2.114
 Raman3 Fr= 1--      26.238                 33.063                 38.149
 ROA3   Fr= 1--     248.161               -196.231               -132.663
 CID3   Fr= 1--       9.458                 -5.935                 -3.477
 RC180  Fr= 1--       0.652                  0.690                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.00     0.03   0.00  -0.00    -0.00   0.02   0.01
     2   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00    -0.01   0.00  -0.03
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6     0.01   0.01   0.02    -0.04  -0.01   0.01    -0.01  -0.01  -0.04
     9   6    -0.05   0.00  -0.01    -0.01   0.00   0.00    -0.02   0.00   0.00
    10   6    -0.01   0.04   0.01    -0.00   0.01   0.00    -0.01   0.04   0.01
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.35   0.12  -0.20     0.07   0.02  -0.04     0.17   0.09  -0.09
    13   1     0.31  -0.08   0.26     0.06  -0.02   0.05     0.14  -0.06   0.11
    14   1     0.01  -0.02  -0.01     0.01   0.00  -0.00    -0.04   0.02   0.01
    15   1     0.02  -0.25  -0.26    -0.01  -0.07  -0.07     0.02  -0.25  -0.26
    16   1     0.10  -0.30   0.17     0.03  -0.07   0.04     0.10  -0.30   0.17
    17   1     0.13  -0.03  -0.15    -0.41  -0.09   0.02     0.02   0.05   0.12
    18   1     0.10   0.28   0.00     0.06  -0.18   0.17    -0.10  -0.17  -0.06
    19   1    -0.13   0.07   0.15    -0.14   0.26  -0.12     0.15  -0.14  -0.07
    20   1    -0.13   0.14   0.05     0.53   0.15  -0.08     0.08  -0.31  -0.06
    21   1     0.17  -0.13  -0.14     0.00   0.12  -0.41    -0.25   0.16   0.35
    22   1    -0.19  -0.15  -0.22     0.08  -0.18   0.29     0.28   0.24   0.30
    23   1    -0.00  -0.00  -0.00     0.02   0.00  -0.00     0.02   0.01  -0.00
    24   1     0.00   0.00   0.00    -0.01  -0.00   0.00     0.01  -0.00   0.00
    25   1    -0.02   0.00  -0.01    -0.00   0.00  -0.02     0.00  -0.00   0.00
    26   1     0.02   0.00   0.01     0.03   0.01   0.01    -0.01  -0.00  -0.01
    27   1    -0.01   0.03   0.02    -0.01   0.02   0.03     0.00  -0.01  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.9881              1506.4665              1510.2449
 Red. masses --      1.1109                 1.0606                 1.0615
 Frc consts  --      1.4786                 1.4182                 1.4265
 IR Inten    --      2.2951                 7.2824                 6.3211
 RamAct Fr= 1--      4.4736                 5.3910                 1.9023
  Dep-P Fr= 1--      0.6409                 0.7466                 0.6374
  Dep-U Fr= 1--      0.7812                 0.8549                 0.7786
 Alpha2 Fr= 1--      0.0088                 0.0003                 0.0039
 Beta2  Fr= 1--      0.5824                 0.7682                 0.2468
 AlphaG Fr= 1--      0.0030                 0.0014                -0.0037
 Gamma2 Fr= 1--      0.1082                 0.5499                -0.3289
 Delta2 Fr= 1--      0.1180                -1.0353                 0.1962
 Raman1 Fr= 1--      17.894                 21.564                  7.609
 ROA1   Fr= 1--      14.166                 19.657                -25.296
 CID1   Fr= 1--       0.792                  0.912                 -3.324
 Raman2 Fr= 1--       6.989                  9.218                  2.962
 ROA2   Fr= 1--       1.654                 21.479                 -9.463
 CID2   Fr= 1--       0.237                  2.330                 -3.195
 Raman3 Fr= 1--      13.978                 18.436                  5.924
 ROA3   Fr= 1--      14.166                 19.657                -25.296
 CID3   Fr= 1--       1.013                  1.066                 -4.270
 RC180  Fr= 1--       0.562                  0.710                  0.557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.00  -0.04   0.01    -0.04  -0.00  -0.00
     2   6    -0.02   0.03   0.01    -0.01  -0.02  -0.02    -0.03  -0.01   0.01
     3   6     0.02  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.01    -0.01   0.00  -0.02    -0.02  -0.01   0.01
     9   6    -0.06  -0.01  -0.00    -0.02   0.00   0.00     0.03   0.01   0.00
    10   6     0.01  -0.05  -0.01     0.00  -0.03  -0.01    -0.00   0.02   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.37   0.16  -0.20     0.12   0.04  -0.06    -0.18  -0.09   0.10
    13   1     0.31  -0.08   0.28     0.10  -0.04   0.08    -0.15   0.05  -0.14
    14   1    -0.08   0.00  -0.00    -0.03   0.00   0.00     0.01   0.00   0.00
    15   1    -0.01   0.26   0.26    -0.01   0.19   0.19     0.01  -0.10  -0.11
    16   1    -0.09   0.28  -0.18    -0.06   0.22  -0.13     0.05  -0.11   0.07
    17   1     0.15   0.09   0.16     0.14  -0.09  -0.33     0.51   0.12  -0.01
    18   1    -0.18  -0.18  -0.18     0.18   0.48   0.02    -0.06   0.24  -0.21
    19   1     0.25  -0.27  -0.10    -0.26   0.21   0.22     0.15  -0.33   0.20
    20   1     0.12   0.08  -0.01     0.17  -0.20  -0.06     0.36   0.14  -0.05
    21   1     0.04  -0.00  -0.14    -0.16   0.13   0.15    -0.00   0.10  -0.31
    22   1    -0.02  -0.10   0.04     0.20   0.11   0.27     0.04  -0.14   0.18
    23   1     0.00   0.00   0.01    -0.02  -0.01   0.00    -0.01   0.00   0.01
    24   1     0.02   0.01   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.01   0.00   0.01    -0.01   0.00   0.00    -0.01   0.00   0.01
    26   1    -0.02  -0.01  -0.01     0.01  -0.00   0.00    -0.01  -0.01  -0.00
    27   1     0.00  -0.00  -0.02    -0.00   0.01   0.00     0.00  -0.00  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1692.7875              1736.9267              3018.5886
 Red. masses --      5.8220                 9.8999                 1.0347
 Frc consts  --      9.8295                17.5971                 5.5549
 IR Inten    --     54.9441               283.4844                24.8928
 RamAct Fr= 1--    531.0374               259.1651                80.4509
  Dep-P Fr= 1--      0.2781                 0.3193                 0.0374
  Dep-U Fr= 1--      0.4352                 0.4840                 0.0720
 Alpha2 Fr= 1--      5.8092                 2.5070                 1.6376
 Beta2  Fr= 1--     38.5174                20.9070                 0.9659
 AlphaG Fr= 1--      0.2103                 0.0744                 0.0002
 Gamma2 Fr= 1--      2.4957                 2.9504                -0.9273
 Delta2 Fr= 1--      0.7074                -0.2734                -1.5372
 Raman1 Fr= 1--    2124.150               1036.660                321.804
 ROA1   Fr= 1--     262.218                274.494               -138.211
 CID1   Fr= 1--       0.123                  0.265                 -0.429
 Raman2 Fr= 1--     462.209                250.884                 11.590
 ROA2   Fr= 1--      54.237                 72.998                 -9.957
 CID2   Fr= 1--       0.117                  0.291                 -0.859
 Raman3 Fr= 1--     924.417                501.768                 23.181
 ROA3   Fr= 1--     262.218                274.494               -138.211
 CID3   Fr= 1--       0.284                  0.547                 -5.962
 RC180  Fr= 1--      -0.130                 -0.032                 -0.856
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     2   6    -0.01  -0.00   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.08  -0.02  -0.00     0.01   0.00   0.00     0.00  -0.00   0.00
     4   6     0.43   0.16  -0.12    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     5   6    -0.40  -0.16   0.12    -0.06  -0.03   0.03    -0.00  -0.00   0.00
     6   6    -0.00  -0.01   0.02     0.53   0.33  -0.35     0.00  -0.00   0.00
     7   8     0.05   0.02  -0.02    -0.34  -0.21   0.22    -0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.05  -0.00
     9   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   6    -0.01  -0.00   0.00    -0.03  -0.02   0.03    -0.00  -0.00   0.00
    12   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.02   0.01  -0.03
    13   1     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.01   0.02
    14   1     0.24   0.04   0.02    -0.00   0.00   0.00    -0.00   0.02  -0.03
    15   1     0.02   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.03   0.03  -0.01     0.01   0.01  -0.01    -0.00   0.00  -0.00
    17   1     0.01  -0.00  -0.01    -0.00  -0.00   0.00     0.03  -0.13   0.03
    18   1    -0.01   0.01  -0.02    -0.00   0.00  -0.00    -0.14   0.05   0.08
    19   1     0.01  -0.01   0.00    -0.00   0.00   0.00     0.13   0.10   0.04
    20   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.08  -0.02   0.48
    21   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.44  -0.34  -0.14
    22   1    -0.01  -0.03   0.00    -0.00  -0.01   0.00     0.49  -0.17  -0.29
    23   1    -0.53  -0.00  -0.15    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    24   1     0.40  -0.03   0.17     0.30   0.05   0.01    -0.00   0.00  -0.00
    25   1     0.04  -0.02  -0.01    -0.09  -0.01   0.19     0.00   0.00   0.00
    26   1     0.03   0.02   0.02    -0.05  -0.19   0.08     0.00  -0.00  -0.00
    27   1    -0.01   0.01  -0.01     0.04   0.16  -0.25     0.00   0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.9186              3040.8371              3050.9400
 Red. masses --      1.0351                 1.0371                 1.0668
 Frc consts  --      5.5875                 5.6501                 5.8505
 IR Inten    --     23.9058                 4.0204                26.1464
 RamAct Fr= 1--    197.8495               137.8316                41.7146
  Dep-P Fr= 1--      0.0220                 0.0064                 0.5734
  Dep-U Fr= 1--      0.0430                 0.0127                 0.7289
 Alpha2 Fr= 1--      4.1759                 3.0176                 0.1387
 Beta2  Fr= 1--      1.4193                 0.2913                 5.0675
 AlphaG Fr= 1--     -0.0733                -0.5867                 0.0936
 Gamma2 Fr= 1--      1.4564                 0.2970                -4.6180
 Delta2 Fr= 1--      1.1660                 1.2844                -3.5840
 Raman1 Fr= 1--     791.398                551.326                166.859
 ROA1   Fr= 1--     177.125                 69.614               -558.016
 CID1   Fr= 1--       0.224                  0.126                 -3.344
 Raman2 Fr= 1--      17.032                  3.496                 60.810
 ROA2   Fr= 1--      25.625                 -3.148                -82.159
 CID2   Fr= 1--       1.504                 -0.900                 -1.351
 Raman3 Fr= 1--      34.064                  6.992                121.620
 ROA3   Fr= 1--     177.125                 69.614               -558.016
 CID3   Fr= 1--       5.200                  9.957                 -4.588
 RC180  Fr= 1--      -0.914                 -0.975                  0.458
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.02  -0.04
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.05   0.00   0.01
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.02   0.01
    11   6    -0.00  -0.00   0.00    -0.01  -0.03   0.04     0.00   0.00   0.00
    12   1    -0.03   0.02  -0.05     0.00  -0.00   0.00    -0.26   0.17  -0.42
    13   1    -0.03  -0.02   0.04     0.00   0.00  -0.00    -0.31  -0.21   0.36
    14   1    -0.00   0.03  -0.05    -0.00  -0.00   0.00    -0.01  -0.27   0.53
    15   1     0.01  -0.03   0.04    -0.00   0.00  -0.00    -0.07   0.17  -0.19
    16   1    -0.00  -0.01  -0.02     0.00   0.00   0.00     0.01   0.06   0.12
    17   1    -0.11   0.49  -0.13     0.00  -0.00   0.00     0.00  -0.01   0.00
    18   1     0.47  -0.16  -0.27    -0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.43  -0.34  -0.16     0.00   0.00   0.00     0.00   0.00   0.00
    20   1     0.02  -0.01   0.14    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    21   1    -0.12  -0.09  -0.04     0.00   0.00   0.00     0.01   0.01   0.00
    22   1     0.13  -0.05  -0.08    -0.00   0.00   0.00     0.01  -0.00  -0.01
    23   1     0.00  -0.01   0.02     0.00  -0.01   0.02    -0.00   0.02  -0.03
    24   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.01  -0.01
    25   1     0.00   0.00   0.00     0.16   0.62   0.07    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.35  -0.26  -0.48     0.00   0.00   0.00
    27   1    -0.00  -0.00  -0.00    -0.38  -0.03  -0.08    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.1192              3060.4671              3077.2194
 Red. masses --      1.0740                 1.0623                 1.1013
 Frc consts  --      5.9065                 5.8621                 6.1445
 IR Inten    --     26.2822                28.6226                11.8422
 RamAct Fr= 1--    241.3470               109.6876                43.9431
  Dep-P Fr= 1--      0.0521                 0.0734                 0.7107
  Dep-U Fr= 1--      0.0990                 0.1368                 0.8309
 Alpha2 Fr= 1--      4.7441                 2.0484                 0.0299
 Beta2  Fr= 1--      3.9807                 2.5014                 6.0852
 AlphaG Fr= 1--     -0.4774                -0.2432                -0.0171
 Gamma2 Fr= 1--      2.8509                 5.1804                 3.8882
 Delta2 Fr= 1--     -1.3016                -6.7808                 1.9007
 Raman1 Fr= 1--     965.388                438.751                175.772
 ROA1   Fr= 1--     232.040                280.331                434.091
 CID1   Fr= 1--       0.240                  0.639                  2.470
 Raman2 Fr= 1--      47.768                 30.017                 73.023
 ROA2   Fr= 1--      78.835                178.576                 78.112
 CID2   Fr= 1--       1.650                  5.949                  1.070
 Raman3 Fr= 1--      95.536                 60.033                146.045
 ROA3   Fr= 1--     232.040                280.331                434.091
 CID3   Fr= 1--       2.429                  4.670                  2.972
 RC180  Fr= 1--      -0.802                 -0.726                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.01  -0.00     0.02   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.03  -0.05    -0.00   0.01  -0.02     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.01   0.01    -0.00  -0.00   0.00    -0.08  -0.02   0.02
     9   6    -0.04  -0.00  -0.01     0.01  -0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00  -0.01   0.02    -0.02   0.06  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1     0.26  -0.16   0.41    -0.09   0.05  -0.14    -0.01   0.00  -0.01
    13   1     0.25   0.17  -0.29    -0.00  -0.00   0.01     0.01   0.01  -0.02
    14   1    -0.01  -0.32   0.64    -0.00  -0.13   0.26     0.00   0.02  -0.03
    15   1    -0.05   0.13  -0.14     0.20  -0.49   0.55    -0.00   0.01  -0.01
    16   1    -0.00  -0.03  -0.05    -0.02  -0.23  -0.48     0.00   0.01   0.03
    17   1    -0.01   0.04  -0.01    -0.01   0.04  -0.01     0.00   0.03  -0.01
    18   1     0.03  -0.01  -0.02    -0.05   0.02   0.03    -0.16   0.06   0.10
    19   1    -0.05  -0.04  -0.02     0.03   0.02   0.01    -0.13  -0.10  -0.05
    20   1    -0.00  -0.00  -0.02    -0.01   0.00  -0.03    -0.03   0.00  -0.06
    21   1    -0.05  -0.04  -0.01     0.01   0.01   0.00     0.49   0.41   0.16
    22   1     0.07  -0.03  -0.04     0.02  -0.01  -0.01     0.56  -0.22  -0.34
    23   1    -0.00   0.02  -0.03    -0.00   0.02  -0.03     0.00  -0.01   0.01
    24   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.9332              3087.1375              3091.0159
 Red. masses --      1.1014                 1.1020                 1.1009
 Frc consts  --      6.1837                 6.1877                 6.1972
 IR Inten    --     44.1205                17.0886                36.1633
 RamAct Fr= 1--    103.1984                42.1010                53.9173
  Dep-P Fr= 1--      0.7166                 0.6816                 0.7299
  Dep-U Fr= 1--      0.8349                 0.8107                 0.8439
 Alpha2 Fr= 1--      0.0595                 0.0507                 0.0185
 Beta2  Fr= 1--     14.3603                 5.6884                 7.5832
 AlphaG Fr= 1--      0.0175                -0.2771                 0.0544
 Gamma2 Fr= 1--     12.5863                15.7454                -4.6812
 Delta2 Fr= 1--      4.8312                15.4285                -9.2584
 Raman1 Fr= 1--     412.794                168.404                215.669
 ROA1   Fr= 1--    1362.881               2005.271               -745.662
 CID1   Fr= 1--       3.302                 11.908                 -3.457
 Raman2 Fr= 1--     172.324                 68.261                 90.999
 ROA2   Fr= 1--     263.421                254.462                -38.281
 CID2   Fr= 1--       1.529                  3.728                 -0.421
 Raman3 Fr= 1--     344.648                136.521                181.997
 ROA3   Fr= 1--    1362.881               2005.271               -745.662
 CID3   Fr= 1--       3.954                 14.688                 -4.097
 RC180  Fr= 1--       0.670                  0.621                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01   0.01     0.00   0.03   0.00    -0.00  -0.09  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6    -0.02  -0.00   0.00    -0.01  -0.02  -0.08    -0.01  -0.01  -0.02
     9   6     0.00   0.00  -0.01    -0.00  -0.01   0.02    -0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.03  -0.02   0.05    -0.07   0.04  -0.10     0.03  -0.02   0.04
    13   1    -0.03  -0.02   0.04     0.11   0.07  -0.12    -0.01  -0.01   0.02
    14   1     0.00   0.00  -0.00    -0.00  -0.03   0.07    -0.00  -0.01   0.02
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.01    -0.01   0.01  -0.02
    16   1    -0.00  -0.03  -0.06     0.00  -0.00  -0.00     0.00   0.03   0.07
    17   1     0.02  -0.19   0.06     0.05  -0.21   0.06    -0.17   0.73  -0.21
    18   1     0.61  -0.22  -0.37     0.04  -0.01  -0.02    -0.16   0.03   0.10
    19   1     0.41   0.34   0.17    -0.11  -0.08  -0.04     0.39   0.28   0.15
    20   1    -0.00  -0.00   0.01     0.14  -0.06   0.79     0.04  -0.02   0.24
    21   1     0.14   0.12   0.05     0.28   0.22   0.07     0.11   0.09   0.03
    22   1     0.15  -0.06  -0.09    -0.24   0.09   0.13    -0.06   0.02   0.03
    23   1    -0.00   0.02  -0.03    -0.00   0.01  -0.02     0.00  -0.01   0.02
    24   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3095.5215              3096.6035              3113.7915
 Red. masses --      1.1066                 1.0993                 1.1071
 Frc consts  --      6.2475                 6.2105                 6.3243
 IR Inten    --     21.5533                 8.4025                47.4700
 RamAct Fr= 1--    111.2423                34.0324               100.4231
  Dep-P Fr= 1--      0.4886                 0.7490                 0.5599
  Dep-U Fr= 1--      0.6565                 0.8565                 0.7178
 Alpha2 Fr= 1--      0.5788                 0.0005                 0.3627
 Beta2  Fr= 1--     12.1712                 4.8582                12.0147
 AlphaG Fr= 1--      0.4410                -0.0288                 0.1583
 Gamma2 Fr= 1--     -6.6102                -1.3602                -8.0373
 Delta2 Fr= 1--      8.9154                -1.5396               -10.4251
 Raman1 Fr= 1--     444.969                136.130                401.693
 ROA1   Fr= 1--    -349.283               -179.852              -1105.185
 CID1   Fr= 1--      -0.785                 -1.321                 -2.751
 Raman2 Fr= 1--     146.054                 58.299                144.176
 ROA2   Fr= 1--    -229.967                -20.329               -109.495
 CID2   Fr= 1--      -1.575                 -0.349                 -0.759
 Raman3 Fr= 1--     292.109                116.598                288.352
 ROA3   Fr= 1--    -349.283               -179.852              -1105.185
 CID3   Fr= 1--      -1.196                 -1.543                 -3.833
 RC180  Fr= 1--       0.313                  0.713                  0.436
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.01    -0.00   0.00   0.00     0.00   0.01  -0.01
     4   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     9   6     0.01   0.04  -0.07     0.00   0.00  -0.00    -0.00   0.02  -0.04
    10   6     0.00   0.01   0.04     0.00  -0.00   0.00    -0.01   0.00  -0.08
    11   6     0.00   0.00   0.00     0.02  -0.08  -0.05     0.00   0.00   0.00
    12   1     0.28  -0.16   0.42     0.00  -0.00   0.00     0.19  -0.11   0.28
    13   1    -0.41  -0.26   0.43    -0.00  -0.00   0.00    -0.19  -0.12   0.20
    14   1     0.00   0.03  -0.06     0.00  -0.00   0.00    -0.00  -0.06   0.11
    15   1    -0.04   0.11  -0.11    -0.00   0.00  -0.00     0.14  -0.34   0.36
    16   1    -0.02  -0.21  -0.40     0.00  -0.00   0.00     0.02   0.32   0.60
    17   1     0.01  -0.04   0.01    -0.00   0.00  -0.00     0.02  -0.07   0.02
    18   1    -0.06   0.03   0.04     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    19   1    -0.07  -0.06  -0.03     0.00   0.00   0.00    -0.04  -0.03  -0.01
    20   1     0.03  -0.01   0.15     0.00  -0.00   0.00     0.01  -0.01   0.06
    21   1     0.06   0.05   0.02     0.00   0.00   0.00     0.02   0.01   0.00
    22   1    -0.05   0.02   0.02    -0.00   0.00   0.00    -0.01   0.00   0.01
    23   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.03  -0.05
    24   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.00  -0.00  -0.00     0.19   0.68   0.06     0.00   0.00   0.00
    26   1     0.00  -0.00  -0.00    -0.39   0.26   0.53     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00     0.00  -0.02  -0.01    -0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3145.2081              3147.1515              3158.3821
 Red. masses --      1.0953                 1.0952                 1.0873
 Frc consts  --      6.3840                 6.3910                 6.3906
 IR Inten    --     13.0724                 4.9024                12.1865
 RamAct Fr= 1--     88.5619                66.3092                34.6727
  Dep-P Fr= 1--      0.2277                 0.6956                 0.2192
  Dep-U Fr= 1--      0.3709                 0.8205                 0.3596
 Alpha2 Fr= 1--      1.1163                 0.0630                 0.4472
 Beta2  Fr= 1--      5.4752                 9.0675                 2.0783
 AlphaG Fr= 1--      0.0768                -0.0211                 0.3310
 Gamma2 Fr= 1--     -3.3667                -2.9183                 4.4379
 Delta2 Fr= 1--     -0.7901                -3.7934                 2.5418
 Raman1 Fr= 1--     354.248                265.237                138.691
 ROA1   Fr= 1--    -348.484               -401.547                507.370
 CID1   Fr= 1--      -0.984                 -1.514                  3.658
 Raman2 Fr= 1--      65.702                108.810                 24.940
 ROA2   Fr= 1--     -74.480                -39.693                 86.174
 CID2   Fr= 1--      -1.134                 -0.365                  3.455
 Raman3 Fr= 1--     131.405                217.619                 49.879
 ROA3   Fr= 1--    -348.484               -401.547                507.370
 CID3   Fr= 1--      -2.652                 -1.845                 10.172
 RC180  Fr= 1--      -0.258                  0.641                 -0.281
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.03  -0.05     0.00  -0.03   0.05    -0.01   0.01  -0.02
     5   6    -0.00  -0.01   0.02     0.00   0.01  -0.02    -0.01   0.04  -0.07
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.06  -0.01  -0.00    -0.06  -0.01  -0.00     0.01   0.00   0.00
    12   1     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    13   1    -0.01  -0.00   0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
    14   1    -0.00  -0.02   0.04     0.00   0.02  -0.04     0.00  -0.02   0.04
    15   1     0.01  -0.02   0.02    -0.01   0.02  -0.02     0.00  -0.01   0.01
    16   1     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.00   0.01
    17   1     0.01  -0.03   0.01    -0.01   0.03  -0.01     0.00  -0.01   0.00
    18   1     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.01  -0.00  -0.00
    19   1     0.01   0.01   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    20   1     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    21   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.07  -0.34   0.57    -0.07   0.34  -0.56     0.03  -0.17   0.29
    24   1    -0.02   0.10  -0.16     0.02  -0.15   0.24     0.08  -0.48   0.80
    25   1     0.04   0.18   0.02     0.04   0.19   0.02    -0.00  -0.02  -0.00
    26   1     0.09  -0.07  -0.14     0.10  -0.08  -0.15    -0.01   0.01   0.01
    27   1     0.65   0.04   0.15     0.61   0.04   0.14    -0.06  -0.00  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   843.955453611.893103665.80758
           X            0.99982  -0.01289   0.01425
           Y            0.01449   0.99285  -0.11849
           Z           -0.01262   0.11868   0.99285
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10263     0.02398     0.02363
 Rotational constants (GHZ):           2.13843     0.49967     0.49232
 Zero-point vibrational energy     622373.4 (Joules/Mol)
                                  148.75082 (Kcal/Mol)
 Warning -- explicit consideration of  19 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.01    92.74   116.65   178.79   211.82
          (Kelvin)            231.74   318.28   352.76   391.11   417.78
                              453.79   505.84   535.33   587.96   653.60
                              759.66   827.84   843.10   890.07  1053.90
                             1146.59  1190.02  1242.70  1268.28  1313.73
                             1370.00  1386.67  1397.88  1436.54  1452.40
                             1473.45  1477.96  1511.57  1580.31  1667.87
                             1703.14  1726.54  1762.33  1793.07  1810.48
                             1835.88  1840.41  1853.49  1893.60  1924.37
                             1995.95  2002.04  2022.34  2045.42  2117.07
                             2129.35  2134.39  2139.22  2148.11  2162.46
                             2167.47  2172.91  2435.54  2499.05  4343.08
                             4355.06  4375.09  4389.62  4395.64  4403.33
                             4427.43  4441.41  4441.70  4447.28  4453.77
                             4455.32  4480.05  4525.25  4528.05  4544.21
 
 Zero-point correction=                           0.237050 (Hartree/Particle)
 Thermal correction to Energy=                    0.249526
 Thermal correction to Enthalpy=                  0.250471
 Thermal correction to Gibbs Free Energy=         0.198060
 Sum of electronic and zero-point Energies=           -465.874976
 Sum of electronic and thermal Energies=              -465.862500
 Sum of electronic and thermal Enthalpies=            -465.861555
 Sum of electronic and thermal Free Energies=         -465.913966
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.580             46.421            110.307
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.792
 Vibrational            154.803             40.460             38.546
 Vibration     1          0.594              1.983              5.577
 Vibration     2          0.597              1.971              4.316
 Vibration     3          0.600              1.962              3.865
 Vibration     4          0.610              1.929              3.033
 Vibration     5          0.617              1.906              2.708
 Vibration     6          0.622              1.890              2.537
 Vibration     7          0.648              1.809              1.949
 Vibration     8          0.660              1.771              1.765
 Vibration     9          0.675              1.725              1.585
 Vibration    10          0.686              1.692              1.472
 Vibration    11          0.703              1.644              1.334
 Vibration    12          0.728              1.572              1.159
 Vibration    13          0.744              1.530              1.071
 Vibration    14          0.773              1.451              0.931
 Vibration    15          0.813              1.351              0.783
 Vibration    16          0.883              1.188              0.592
 Vibration    17          0.932              1.085              0.494
 Vibration    18          0.943              1.062              0.474
 Vibration    19          0.978              0.993              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.791857D-91        -91.101353       -209.768618
 Total V=0       0.858544D+18         17.933763         41.294014
 Vib (Bot)       0.897336-105       -105.047045       -241.879760
 Vib (Bot)    1  0.607621D+01          0.783633          1.804381
 Vib (Bot)    2  0.320185D+01          0.505400          1.163727
 Vib (Bot)    3  0.253961D+01          0.404767          0.932010
 Vib (Bot)    4  0.164286D+01          0.215601          0.496439
 Vib (Bot)    5  0.137842D+01          0.139382          0.320939
 Vib (Bot)    6  0.125472D+01          0.098548          0.226914
 Vib (Bot)    7  0.893695D+00         -0.048811         -0.112391
 Vib (Bot)    8  0.797824D+00         -0.098093         -0.225867
 Vib (Bot)    9  0.710284D+00         -0.148568         -0.342091
 Vib (Bot)   10  0.658454D+00         -0.181474         -0.417860
 Vib (Bot)   11  0.597648D+00         -0.223555         -0.514754
 Vib (Bot)   12  0.524235D+00         -0.280474         -0.645816
 Vib (Bot)   13  0.488615D+00         -0.311033         -0.716179
 Vib (Bot)   14  0.433378D+00         -0.363133         -0.836145
 Vib (Bot)   15  0.376187D+00         -0.424597         -0.977670
 Vib (Bot)   16  0.303468D+00         -0.517888         -1.192480
 Vib (Bot)   17  0.266065D+00         -0.575013         -1.324016
 Vib (Bot)   18  0.258483D+00         -0.587569         -1.352927
 Vib (Bot)   19  0.236735D+00         -0.625738         -1.440815
 Vib (V=0)       0.972906D+04          3.988071          9.182873
 Vib (V=0)    1  0.659674D+01          0.819330          1.886576
 Vib (V=0)    2  0.374065D+01          0.572947          1.319259
 Vib (V=0)    3  0.308836D+01          0.489728          1.127641
 Vib (V=0)    4  0.221726D+01          0.345817          0.796274
 Vib (V=0)    5  0.196630D+01          0.293651          0.676156
 Vib (V=0)    6  0.185068D+01          0.267331          0.615551
 Vib (V=0)    7  0.152406D+01          0.183001          0.421375
 Vib (V=0)    8  0.144155D+01          0.158831          0.365722
 Vib (V=0)    9  0.136862D+01          0.136283          0.313804
 Vib (V=0)   10  0.132678D+01          0.122798          0.282753
 Vib (V=0)   11  0.127922D+01          0.106945          0.246250
 Vib (V=0)   12  0.122445D+01          0.087940          0.202489
 Vib (V=0)   13  0.119910D+01          0.078857          0.181574
 Vib (V=0)   14  0.116168D+01          0.065085          0.149865
 Vib (V=0)   15  0.112571D+01          0.051428          0.118416
 Vib (V=0)   16  0.108489D+01          0.035384          0.081476
 Vib (V=0)   17  0.106638D+01          0.027913          0.064273
 Vib (V=0)   18  0.106286D+01          0.026477          0.060965
 Vib (V=0)   19  0.105321D+01          0.022516          0.051844
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.119662D+07          6.077958         13.995015
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000623    0.000001577   -0.000010218
      2        6           0.000000364    0.000005236    0.000014082
      3        6           0.000011646   -0.000017672    0.000000215
      4        6          -0.000006996   -0.000000011   -0.000002841
      5        6           0.000003620    0.000003802    0.000004609
      6        6          -0.000002788   -0.000003071   -0.000004579
      7        8           0.000002972   -0.000002417   -0.000000334
      8        6           0.000000540    0.000000126   -0.000002976
      9        6          -0.000007236   -0.000006732   -0.000008124
     10        6           0.000001202    0.000010782   -0.000001716
     11        6          -0.000003315    0.000010474    0.000007335
     12        1           0.000000874   -0.000000976    0.000001433
     13        1           0.000003202   -0.000001899    0.000001436
     14        1          -0.000002896    0.000002071   -0.000000052
     15        1          -0.000002023    0.000000394    0.000002436
     16        1           0.000001629   -0.000002115    0.000001187
     17        1          -0.000000234    0.000001008   -0.000000339
     18        1          -0.000000196    0.000001281    0.000000155
     19        1           0.000000246    0.000001635    0.000001388
     20        1           0.000000053   -0.000002817    0.000000734
     21        1          -0.000001050   -0.000001172   -0.000001506
     22        1          -0.000000511   -0.000000857   -0.000001081
     23        1          -0.000001053    0.000002077    0.000000629
     24        1          -0.000000859   -0.000000530    0.000000786
     25        1           0.000003208    0.000000888   -0.000002714
     26        1           0.000000098   -0.000002125   -0.000001185
     27        1           0.000000124    0.000001043    0.000001239
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000017672 RMS     0.000004327
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168526D+03  0.834970D+01 -0.471336D+01
      2   0.834970D+01  0.110403D+03 -0.430806D+01
      3  -0.471336D+01 -0.430806D+01  0.111365D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.645532D+01  0.999390D+01  0.350048D+01
      2   0.145711D+02 -0.148735D+02 -0.229812D+02
      3  -0.302686D+02  0.381195D+02  0.211136D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.738251D+02  0.487559D+02 -0.198941D+02
      2  -0.512277D+02 -0.354708D+02 -0.122176D+02
      3  -0.225973D+02 -0.132851D+02  0.321117D+02
      4   0.424930D+02 -0.841795D+02 -0.515035D+02
      5  -0.126052D+02 -0.540576D+02 -0.437691D+02
      6  -0.288540D+02  0.210873D+01  0.327557D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.300372D+01 -0.331492D+01 -0.506073D+01 -0.389211D+01 -0.238377D+01
      2  -0.331492D+01 -0.227920D+01  0.311605D+00 -0.238377D+01  0.337066D+01
      3  -0.506073D+01  0.311605D+00  0.215930D+01  0.455412D+00 -0.304579D+01
                 6             7             8             9            10 
      1   0.455412D+00 -0.440649D+01  0.594245D+00  0.222544D+01 -0.195819D+02
      2  -0.304579D+01  0.594245D+00 -0.250278D+01 -0.123464D+01  0.506533D+01
      3  -0.102126D+01  0.222544D+01 -0.123464D+01  0.259854D+01  0.581421D+01
                11            12            13            14            15 
      1   0.506533D+01  0.581421D+01  0.713588D+01  0.540001D+00 -0.957601D+00
      2   0.215592D+01 -0.698571D-01  0.540001D+00 -0.629356D+00  0.260798D+01
      3  -0.698571D-01 -0.237389D+01 -0.957601D+00  0.260798D+01  0.192058D+01
                16            17            18            19            20 
      1   0.149710D+02 -0.930151D+00 -0.401490D+01  0.434090D+02  0.201926D+01
      2  -0.930151D+00  0.312041D+01  0.239852D+01  0.201926D+01  0.346286D+01
      3  -0.401490D+01  0.239852D+01 -0.313209D+01 -0.363803D+01  0.135600D+01
                21            22            23            24            25 
      1  -0.363803D+01 -0.271951D+01  0.759189D+01  0.396965D+01 -0.568770D+01
      2   0.135600D+01  0.759189D+01  0.192684D+01  0.574644D+00  0.325393D+01
      3   0.144085D+01  0.396965D+01  0.574644D+00 -0.381436D+01  0.299805D+01
                26            27            28            29            30 
      1   0.325393D+01  0.299805D+01 -0.599582D+02 -0.657529D+01  0.457548D+01
      2   0.432010D+00 -0.337559D+01 -0.657529D+01 -0.376432D+01 -0.364153D+00
      3  -0.337559D+01  0.269817D+01  0.457548D+01 -0.364153D+00 -0.244216D+01
                31            32            33            34            35 
      1  -0.136512D+02 -0.655934D+01 -0.503120D+00  0.850223D+01  0.202321D+00
      2  -0.655934D+01 -0.397044D+01 -0.128592D+01  0.202321D+00 -0.397062D+00
      3  -0.503120D+00 -0.128592D+01  0.186986D+01 -0.438651D+01  0.201499D+01
                36            37            38            39            40 
      1  -0.438651D+01  0.591755D+02  0.907790D+01 -0.578013D+01  0.143482D+02
      2   0.201499D+01  0.907790D+01  0.316882D+01  0.168386D+00  0.550341D+01
      3  -0.142723D+01 -0.578013D+01  0.168386D+00  0.129019D+01  0.933507D-01
                41            42            43            44            45 
      1   0.550341D+01  0.933507D-01 -0.725545D+01  0.419228D+00  0.347642D+01
      2   0.311254D+01  0.101365D+01  0.419228D+00  0.230062D+00 -0.282230D+01
      3   0.101365D+01 -0.273808D+01  0.347642D+01 -0.282230D+01  0.130861D+01
                46            47            48            49            50 
      1  -0.424618D+02 -0.895235D+01  0.544029D+01 -0.997913D+01 -0.308494D+01
      2  -0.895235D+01 -0.170383D+01  0.154716D+01 -0.308494D+01 -0.109504D+01
      3   0.544029D+01  0.154716D+01 -0.563950D+00  0.230497D+01 -0.197722D+00
                51            52            53            54            55 
      1   0.230497D+01  0.264017D+01  0.175344D+01 -0.197420D+01  0.337860D+02
      2  -0.197722D+00  0.175344D+01  0.305312D+00  0.101291D+01  0.695008D+01
      3   0.103326D+01 -0.197420D+01  0.101291D+01 -0.124265D+01 -0.513781D+01
                56            57            58            59            60 
      1   0.695008D+01 -0.513781D+01  0.156013D+02  0.726682D+01 -0.164281D+01
      2   0.279339D+01 -0.123561D+01  0.726682D+01  0.502079D+01 -0.203519D+01
      3  -0.123561D+01  0.239378D+01 -0.164281D+01 -0.203519D+01  0.983230D+00
                61            62            63            64            65 
      1  -0.165741D+02 -0.311249D+01  0.565344D+01  0.617549D+01 -0.463597D+01
      2  -0.311249D+01 -0.154064D+01  0.186953D+01 -0.463597D+01 -0.198038D+01
      3   0.565344D+01  0.186953D+01 -0.417683D+01 -0.310094D+01  0.503709D+00
                66            67            68            69            70 
      1  -0.310094D+01 -0.427947D+01 -0.187304D+01  0.669790D+00 -0.564317D+01
      2   0.503709D+00 -0.187304D+01  0.720675D+00 -0.219064D+01  0.796337D+00
      3   0.202255D+01  0.669790D+00 -0.219064D+01 -0.108967D+01  0.277881D+01
                71            72            73            74            75 
      1   0.796337D+00  0.277881D+01  0.752793D+00  0.969997D+00 -0.506185D+00
      2  -0.231970D+01 -0.201915D+01  0.969997D+00 -0.268653D+01 -0.297283D+01
      3  -0.201915D+01  0.559219D+01 -0.506185D+00 -0.297283D+01  0.231366D+01
                76            77            78            79            80 
      1   0.158753D+01 -0.323382D+01 -0.428774D+01 -0.102028D+01 -0.418143D+01
      2  -0.323382D+01 -0.231523D+01 -0.131111D+01 -0.418143D+01 -0.179064D+01
      3  -0.428774D+01 -0.131111D+01 -0.112840D+01  0.336691D+01 -0.840637D+00
                81            82            83            84            85 
      1   0.336691D+01 -0.720892D+01 -0.650836D+01 -0.183437D+01 -0.830965D+01
      2  -0.840637D+00 -0.650836D+01 -0.263850D+01  0.107891D+01 -0.450379D+01
      3   0.127900D+01 -0.183437D+01  0.107891D+01 -0.472947D-01  0.439921D+00
                86            87            88            89            90 
      1  -0.450379D+01  0.439921D+00  0.353044D+01  0.193593D+01 -0.178937D+00
      2   0.476923D+00 -0.369460D-01  0.193593D+01  0.734027D+00  0.472219D+01
      3  -0.369460D-01  0.364544D+01 -0.178937D+00  0.472219D+01  0.206224D+01
                91            92            93            94            95 
      1  -0.860187D+01 -0.670595D+00 -0.283152D+01 -0.230688D+01  0.148147D+01
      2  -0.670595D+00  0.214510D+01 -0.668425D-01  0.148147D+01  0.438236D+01
      3  -0.283152D+01 -0.668425D-01  0.261392D+01 -0.727275D+00 -0.604230D-01
                96            97            98            99           100 
      1  -0.727275D+00 -0.653192D+00 -0.525941D+00  0.299800D+01 -0.518578D+01
      2  -0.604230D-01 -0.525941D+00  0.502301D+00 -0.208469D+01  0.254737D+00
      3  -0.251875D+01  0.299800D+01 -0.208469D+01 -0.543572D+00 -0.269620D+01
               101           102           103           104           105 
      1   0.254737D+00 -0.269620D+01  0.141752D+01 -0.853696D+00  0.123369D+01
      2  -0.580825D+00  0.431463D+00 -0.853696D+00  0.984082D+00 -0.694843D+00
      3   0.431463D+00 -0.229943D+01  0.123369D+01 -0.694843D+00  0.114598D+01
               106           107           108           109           110 
      1  -0.406551D+01  0.855889D+00 -0.372969D+01 -0.716400D+01 -0.242323D+01
      2   0.855889D+00 -0.119468D+01  0.346743D+00 -0.242323D+01 -0.139369D+01
      3  -0.372969D+01  0.346743D+00 -0.455793D+01  0.223477D+01  0.999276D+00
               111           112           113           114           115 
      1   0.223477D+01 -0.247182D+01 -0.196143D+01  0.123167D+01  0.445300D+01
      2   0.999276D+00 -0.196143D+01 -0.192885D+01  0.101355D+01  0.188789D+01
      3  -0.184990D+01  0.123167D+01  0.101355D+01 -0.812211D+00 -0.313540D+01
               116           117           118           119           120 
      1   0.188789D+01 -0.313540D+01  0.495849D+00  0.680541D+00 -0.870268D+00
      2   0.174334D+01 -0.102166D+01  0.680541D+00 -0.292576D+00 -0.271765D+00
      3  -0.102166D+01  0.257753D+01 -0.870268D+00 -0.271765D+00  0.161911D-01
               121           122           123           124           125 
      1   0.178904D+01 -0.672237D+00 -0.119711D+00 -0.726703D+00  0.140765D-01
      2  -0.672237D+00  0.139138D+01 -0.137960D+01  0.140765D-01 -0.165871D+01
      3  -0.119711D+00 -0.137960D+01  0.201986D+01 -0.545160D+00  0.157672D+01
               126           127           128           129           130 
      1  -0.545160D+00  0.919343D+00 -0.407250D+00  0.732584D+00 -0.212435D+00
      2   0.157672D+01 -0.407250D+00  0.158098D+01 -0.495209D+00  0.750888D+00
      3  -0.593839D+01  0.732584D+00 -0.495209D+00  0.509011D+00 -0.314233D+00
               131           132           133           134           135 
      1   0.750888D+00 -0.314233D+00  0.136170D+01 -0.362113D+00  0.213972D+00
      2  -0.555320D+01  0.169530D+01 -0.362113D+00  0.318259D+01 -0.230571D+01
      3   0.169530D+01 -0.173872D+01  0.213972D+00 -0.230571D+01  0.213029D+01
               136           137           138           139           140 
      1   0.737678D+00 -0.439890D+00 -0.945831D+00  0.113678D+01 -0.374803D+00
      2  -0.439890D+00  0.184755D+00 -0.147846D+00 -0.374803D+00 -0.452108D+01
      3  -0.945831D+00 -0.147846D+00 -0.698764D-01 -0.586277D+00 -0.296839D+01
               141           142           143           144           145 
      1  -0.586277D+00 -0.201695D+01 -0.117429D+01 -0.955493D+00  0.613640D+00
      2  -0.296839D+01 -0.117429D+01 -0.438472D+01 -0.463564D+01 -0.673003D+00
      3  -0.278072D+01 -0.955493D+00 -0.463564D+01 -0.621014D+01  0.964292D+00
               146           147           148           149           150 
      1  -0.673003D+00  0.964292D+00 -0.938810D+00  0.925396D+00 -0.118457D+00
      2   0.909960D+00 -0.355151D+00  0.925396D+00 -0.548238D+01  0.230292D+01
      3  -0.355151D+00  0.353358D+00 -0.118457D+00  0.230292D+01 -0.284543D+01
               151           152           153           154           155 
      1   0.671781D+00 -0.251226D+00  0.914769D-01 -0.623752D+01  0.158594D+01
      2  -0.251226D+00  0.169316D+01 -0.159295D+01  0.158594D+01 -0.110835D+01
      3   0.914769D-01 -0.159295D+01  0.162636D+01  0.407870D+01 -0.934081D+00
               156           157           158           159           160 
      1   0.407870D+01  0.153832D+01 -0.106157D+01 -0.925370D+00  0.248073D+01
      2  -0.934081D+00 -0.106157D+01  0.763162D+00  0.141918D+01 -0.728111D+00
      3  -0.414063D+01 -0.925370D+00  0.141918D+01  0.142590D+01 -0.302516D+01
               161           162           163           164           165 
      1  -0.728111D+00 -0.302516D+01  0.354234D+01  0.180067D+01  0.189054D+01
      2   0.862091D+00  0.102813D+01  0.180067D+01  0.188851D+01  0.997407D+00
      3   0.102813D+01  0.378314D+01  0.189054D+01  0.997407D+00  0.216992D+01
               166           167           168           169           170 
      1   0.206069D+01  0.147632D+01  0.637829D+00  0.111157D+01  0.466988D+00
      2   0.147632D+01  0.225182D+01  0.176086D+01  0.466988D+00  0.101405D+01
      3   0.637829D+00  0.176086D+01  0.218615D+01  0.938745D+00  0.118749D+01
               171           172           173           174           175 
      1   0.938745D+00 -0.142086D+01  0.972815D+00 -0.962012D+00  0.470412D+00
      2   0.118749D+01  0.972815D+00 -0.166435D+00  0.304224D+00 -0.113483D+00
      3   0.190730D+01 -0.962012D+00  0.304224D+00 -0.117703D+01  0.280620D+00
               176           177           178           179           180 
      1  -0.113483D+00  0.280620D+00 -0.140251D+01  0.840867D+00 -0.204930D+01
      2   0.508704D+00 -0.110176D+01  0.840867D+00 -0.217488D+01  0.207137D+01
      3  -0.110176D+01  0.766750D+00 -0.204930D+01  0.207137D+01 -0.731494D+01
               181           182           183           184           185 
      1   0.264860D+01  0.202612D+01  0.766862D+00  0.153640D+01  0.179826D+01
      2   0.202612D+01  0.403843D+01  0.388325D+00  0.179826D+01  0.513549D+01
      3   0.766862D+00  0.388325D+00  0.822304D+00  0.252166D+00  0.834438D+00
               186           187           188           189           190 
      1   0.252166D+00  0.101242D+01  0.145578D+00  0.287531D+00 -0.741590D+01
      2   0.834438D+00  0.145578D+00  0.149130D+01  0.120585D+01  0.394451D+01
      3   0.883662D+00  0.287531D+00  0.120585D+01  0.197445D+00  0.218332D+01
               191           192           193           194           195 
      1   0.394451D+01  0.218332D+01  0.150755D+01 -0.218591D+01 -0.776939D+00
      2  -0.278102D+01 -0.926407D+00 -0.218591D+01  0.234303D+01  0.106327D+01
      3  -0.926407D+00 -0.177708D+01 -0.776939D+00  0.106327D+01  0.654903D+00
               196           197           198           199           200 
      1   0.342874D+01 -0.166894D+01 -0.216315D+01 -0.143183D+01 -0.912350D+00
      2  -0.166894D+01  0.206175D+01  0.134525D+01 -0.912350D+00  0.385962D-01
      3  -0.216315D+01  0.134525D+01  0.137708D+01  0.112824D+01 -0.222362D+00
               201           202           203           204           205 
      1   0.112824D+01 -0.155556D+01  0.810281D+00  0.298817D+00  0.127073D+01
      2  -0.222362D+00  0.810281D+00 -0.128009D+01  0.142927D+01  0.276061D+00
      3   0.403993D+00  0.298817D+00  0.142927D+01 -0.191940D+01  0.600859D+00
               206           207           208           209           210 
      1   0.276061D+00  0.600859D+00  0.945437D+00  0.723221D+00 -0.912916D+00
      2   0.169430D+01 -0.177298D+01  0.723221D+00  0.162262D-01  0.941711D-01
      3  -0.177298D+01  0.375548D+01 -0.912916D+00  0.941711D-01 -0.271087D+00
               211           212           213           214           215 
      1   0.111928D+01 -0.138949D-01 -0.405118D+00 -0.133634D+01 -0.255113D+00
      2  -0.138949D-01  0.190612D+01 -0.187719D+01 -0.255113D+00 -0.209807D+01
      3  -0.405118D+00 -0.187719D+01  0.274455D+01  0.916932D-01  0.245053D+01
               216           217           218           219           220 
      1   0.916932D-01  0.104975D+01 -0.769929D+00  0.180920D+00 -0.209195D+01
      2   0.245053D+01 -0.769929D+00 -0.112800D+01  0.210980D+00  0.267247D+00
      3  -0.567673D+01  0.180920D+00  0.210980D+00 -0.856362D+00 -0.599879D+00
               221           222           223           224           225 
      1   0.267247D+00 -0.599879D+00  0.627401D+00  0.158771D+00 -0.263416D+00
      2  -0.762643D+01  0.866011D+00  0.158771D+00 -0.317376D+00 -0.751038D+00
      3   0.866011D+00 -0.142551D+01 -0.263416D+00 -0.751038D+00  0.280748D+00
               226           227           228           229           230 
      1  -0.440157D+00  0.772342D+00  0.126120D+01  0.845181D+00 -0.570001D+00
      2   0.772342D+00 -0.997166D+00 -0.153471D+00 -0.570001D+00  0.490581D+00
      3   0.126120D+01 -0.153471D+00 -0.259343D+01 -0.858621D-01  0.120591D+01
               231           232           233           234           235 
      1  -0.858621D-01  0.266364D+01 -0.376156D+00 -0.819806D+00  0.985340D+01
      2   0.120591D+01 -0.376156D+00  0.115259D+01  0.103968D+01 -0.560325D+00
      3   0.208185D+01 -0.819806D+00  0.103968D+01  0.576121D+01  0.302553D+01
               236           237           238           239           240 
      1  -0.560325D+00  0.302553D+01  0.314467D+00  0.103374D+01  0.182490D+00
      2   0.111729D+01 -0.176034D+00  0.103374D+01 -0.383052D+00  0.398538D+00
      3  -0.176034D+00  0.195309D+01  0.182490D+00  0.398538D+00  0.470529D+00
               241           242           243 
      1   0.206290D+01 -0.355976D-01  0.151977D+01
      2  -0.355976D-01  0.159934D+00  0.187083D+00
      3   0.151977D+01  0.187083D+00  0.128518D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.584169D+01 -0.535026D+01  0.466430D+00 -0.515899D+01  0.976860D+01
      2   0.752645D+01  0.715761D+01  0.104336D+02  0.675695D+01  0.118744D+02
      3  -0.661369D+01 -0.778605D+01 -0.105453D+01 -0.360120D+01  0.512249D+01
                 6             7             8             9            10 
      1  -0.111226D+02 -0.386983D+00 -0.411762D+01 -0.260384D+01  0.693099D+00
      2   0.928811D+00  0.293224D+01  0.193872D+01 -0.885120D+01 -0.197144D+02
      3  -0.528229D+01 -0.442684D+00 -0.492251D+01 -0.172824D+01  0.132820D+02
                11            12            13            14            15 
      1   0.235136D+01  0.163507D+01  0.275629D+01 -0.466468D+01 -0.498172D+01
      2  -0.145145D+01  0.849030D+01 -0.169454D+01 -0.918383D+01 -0.517360D+01
      3   0.421748D+01  0.419500D+01  0.152944D+02  0.349002D+01  0.640488D+01
                16            17            18            19            20 
      1  -0.634148D-01  0.572293D+01  0.355324D+01 -0.257169D+01 -0.103385D+01
      2   0.729205D+01 -0.520233D+01  0.723829D+01  0.249166D+02  0.255921D+01
      3  -0.253847D+00  0.647408D+01  0.377171D+01 -0.169972D+02 -0.666603D+01
                21            22            23            24            25 
      1  -0.949099D+00  0.319970D+00 -0.110757D+01 -0.474273D+01  0.117050D+00
      2   0.103871D+01  0.163942D+01  0.607793D+01  0.602603D+01 -0.151965D+02
      3  -0.504550D-01  0.474645D+01 -0.451555D+01 -0.962825D+00 -0.125994D+01
                26            27            28            29            30 
      1   0.470046D+00  0.417744D+01  0.691672D+01 -0.437661D+00 -0.666008D+00
      2   0.457491D+01  0.287006D+00 -0.282851D+02 -0.547873D+01 -0.135930D+01
      3  -0.225784D+01 -0.296620D+01  0.148011D+02  0.629172D+01  0.644731D+00
                31            32            33            34            35 
      1  -0.527519D+01  0.911117D+00 -0.209940D+01 -0.322168D+01  0.272830D+01
      2  -0.140091D+02 -0.436448D+01 -0.250887D+00 -0.214882D+02 -0.264247D+01
      3   0.320255D+02  0.831515D+01 -0.108263D+01  0.295397D+01  0.104238D+01
                36            37            38            39            40 
      1  -0.395964D+01 -0.712567D+01  0.159536D+01  0.129165D+01  0.593270D+01
      2  -0.806708D-01  0.211482D+02  0.565715D+01  0.484629D+01  0.139131D+02
      3   0.477942D+00 -0.221155D+02 -0.116402D+02  0.120897D+00 -0.119272D+01
                41            42            43            44            45 
      1  -0.618647D-01 -0.991903D+00  0.848945D+01  0.197926D+01  0.804103D+00
      2   0.585830D+01 -0.486520D+01 -0.105238D+02 -0.631896D+01  0.916774D+01
      3  -0.224770D+01 -0.395486D+01 -0.306372D+01 -0.464426D+01  0.377782D+01
                46            47            48            49            50 
      1   0.651025D+01 -0.895118D+01 -0.198520D+01 -0.534956D+01  0.876286D+01
      2  -0.628741D+01 -0.709956D+01 -0.749559D+01 -0.409388D+01 -0.277022D-01
      3   0.147989D+02  0.157681D+02  0.892358D+00  0.238724D+02  0.612178D+01
                51            52            53            54            55 
      1  -0.114739D+02 -0.898064D+00 -0.254878D+00 -0.119815D+02 -0.364852D+01
      2  -0.324614D+01 -0.193168D+02  0.253281D+00 -0.527162D+01  0.499857D+01
      3   0.324705D+01  0.124893D+01 -0.129797D+01 -0.324878D+00 -0.115345D+02
                56            57            58            59            60 
      1   0.240492D+01 -0.489901D+00 -0.185404D+01 -0.335592D+01 -0.135984D+00
      2   0.161505D+01  0.162008D+02  0.485949D+01 -0.248270D+01  0.863451D+01
      3  -0.189681D+02  0.189772D+01 -0.144545D+02 -0.168949D+02  0.400483D+01
                61            62            63            64            65 
      1   0.905369D+00  0.283312D+01  0.381504D+01  0.717089D+01 -0.120187D+01
      2   0.448855D+01  0.349309D+01 -0.128118D+02  0.957600D+01 -0.236751D+01
      3   0.449944D+01  0.925367D+01 -0.490386D+01 -0.762463D+01 -0.203273D+02
                66            67            68            69            70 
      1  -0.521804D+01 -0.830048D+00  0.574205D+01  0.188072D+01 -0.811988D+01
      2  -0.353515D+01 -0.228528D+01  0.528677D+01  0.313608D+01 -0.109962D+02
      3  -0.539447D+01 -0.108675D+02 -0.442701D+01 -0.505493D+01 -0.332163D+01
                71            72            73            74            75 
      1   0.881787D+01 -0.132167D+02 -0.354686D+00 -0.285648D+01  0.329005D+01
      2   0.562032D+01 -0.137700D+02  0.235018D+01  0.130943D+02 -0.587041D+01
      3  -0.449143D+01  0.186259D+00  0.538860D+01 -0.166585D+02 -0.131100D+02
                76            77            78            79            80 
      1  -0.313050D+01 -0.437319D+00 -0.294270D+01  0.542605D+01  0.181421D+01
      2   0.169810D+02  0.389820D+01  0.177743D+01 -0.179101D+02 -0.895021D+00
      3  -0.930604D+01 -0.431056D+01 -0.171115D+01 -0.159485D+02 -0.100607D+01
                81            82            83            84            85 
      1   0.153907D+01  0.306461D+00  0.525824D+01 -0.147575D+01  0.492365D+01
      2  -0.295336D+01 -0.193768D+01 -0.819790D+01  0.792502D+00 -0.118157D+02
      3  -0.568111D+01 -0.837204D+01  0.472576D+01  0.481257D+01  0.147671D+02
                86            87            88            89            90 
      1  -0.478029D+00  0.662004D+01 -0.729587D+00  0.159332D+02  0.130728D+01
      2  -0.423139D+01 -0.515605D+01 -0.302080D+01 -0.587110D+01 -0.304815D+01
      3   0.798478D+01 -0.290411D+01  0.723366D+01 -0.289654D+01  0.849821D+01
                91            92            93            94            95 
      1  -0.254842D+01  0.554530D+01  0.406465D+01 -0.160926D+01  0.744778D+01
      2  -0.259010D+01  0.585336D+00  0.179221D+02 -0.103477D+01 -0.399278D+01
      3   0.681568D+01 -0.104332D+02  0.246037D+01 -0.968314D+00 -0.170616D+02
                96            97            98            99           100 
      1  -0.762130D+01 -0.739767D+00  0.481276D+01 -0.408649D+01 -0.229003D+01
      2  -0.109465D+02  0.929843D+01 -0.727010D+01 -0.577198D+01  0.563920D+01
      3   0.739724D+00  0.229714D+01 -0.367864D+01  0.490142D+01  0.509409D+01
               101           102           103           104           105 
      1   0.147415D+01 -0.195542D+01  0.124696D+01 -0.177013D+01  0.411697D+00
      2  -0.172124D+01  0.814571D+01 -0.350681D+01  0.188647D+01 -0.365136D+01
      3  -0.352111D+01  0.400210D+01 -0.220701D+01  0.497639D+01 -0.327348D+01
               106           107           108           109           110 
      1  -0.346586D+01  0.310852D+01 -0.373622D+01  0.278837D+01  0.447533D+00
      2   0.823321D+01 -0.102320D+01  0.142565D+02 -0.929436D+01 -0.406897D+01
      3   0.647868D+01 -0.588566D+01  0.443883D+01 -0.554681D+00 -0.474520D+01
               111           112           113           114           115 
      1  -0.271734D+01  0.184668D+01  0.911414D+00 -0.222281D+01 -0.322473D+01
      2   0.933522D+01 -0.521868D+01 -0.410499D+01  0.393240D+01  0.102225D+02
      3   0.117361D+01 -0.196080D+01 -0.508664D+01  0.222657D+01  0.229727D+01
               116           117           118           119           120 
      1   0.240286D+00  0.343113D+01 -0.795628D+00  0.192253D+00  0.954862D-01
      2   0.370131D+01 -0.113504D+02  0.272640D+01  0.772443D+00  0.177216D+00
      3   0.555623D+01 -0.356662D+00  0.928904D+00 -0.975469D+00  0.265562D+00
               121           122           123           124           125 
      1  -0.116351D+01 -0.284590D+01  0.962603D+00 -0.862658D+00  0.425008D+01
      2   0.176866D+01  0.639363D+00 -0.239945D+01 -0.363416D+01 -0.160997D+01
      3   0.157713D+01  0.960388D+00 -0.115939D+01 -0.655276D-01 -0.153324D+01
               126           127           128           129           130 
      1  -0.271990D+01  0.232985D+01 -0.210228D+01  0.228361D+01 -0.171073D+01
      2   0.539138D+01 -0.754221D+00  0.750716D+00  0.693354D+00  0.111928D+01
      3   0.203898D+01 -0.342104D+01  0.238387D+01 -0.283596D+01  0.412369D+01
               131           132           133           134           135 
      1   0.743718D+01 -0.725502D+01  0.102674D+01 -0.617243D+01  0.859310D+01
      2  -0.202424D+01  0.235538D+01 -0.738491D+00  0.344232D+01 -0.304408D+01
      3  -0.114521D+02  0.400605D+01 -0.488516D+01  0.647327D+01 -0.527054D+01
               136           137           138           139           140 
      1  -0.126558D+01 -0.601802D+00  0.130900D+00 -0.585575D+00 -0.751674D+00
      2   0.193585D+01 -0.190433D+00 -0.457914D-01  0.257600D+00  0.485248D+01
      3  -0.930057D+00  0.203877D+00  0.144997D+01  0.127481D+01 -0.785617D+01
               141           142           143           144           145 
      1  -0.478608D+01 -0.271214D+00 -0.325973D+01 -0.972157D+01 -0.171346D+01
      2   0.457714D+01 -0.258041D+01  0.707678D+01  0.101299D+02 -0.441866D+01
      3  -0.447004D+01  0.234882D+01 -0.632959D+01 -0.740733D+01 -0.164856D+01
               146           147           148           149           150 
      1   0.284172D+01 -0.395029D+00  0.278042D+01 -0.147874D+02  0.222150D+01
      2   0.244878D+01 -0.162738D+01  0.404994D+01 -0.724353D+01  0.544585D+01
      3   0.971230D+00 -0.428018D+00  0.405611D+01 -0.897601D+01  0.372812D+01
               151           152           153           154           155 
      1  -0.569199D+00  0.484254D+01 -0.315355D+01  0.209195D+01 -0.320621D+01
      2  -0.292075D+01  0.378336D+01 -0.308273D+01  0.512278D+01 -0.141493D+01
      3  -0.851574D+00  0.269077D+01 -0.271866D+01  0.133548D+01 -0.370278D+01
               156           157           158           159           160 
      1  -0.316496D-01 -0.167103D+01  0.115305D+01  0.115625D+01 -0.882014D+00
      2   0.289529D+01 -0.213274D+01 -0.113173D+01 -0.150160D+01 -0.271194D+01
      3  -0.770442D+00 -0.745000D+00  0.157594D+01  0.248386D+01 -0.188011D+00
               161           162           163           164           165 
      1   0.314412D+01  0.427998D+00  0.316921D+01  0.468234D+01  0.117275D+00
      2  -0.352245D+00 -0.178429D+01 -0.146108D+02 -0.646375D+01 -0.672804D+01
      3   0.235220D+01  0.105027D+01  0.661599D+01  0.276274D+01  0.275379D+01
               166           167           168           169           170 
      1   0.309835D+01  0.421794D+01  0.871964D+00  0.563274D+00  0.302871D+01
      2  -0.721074D+01 -0.720359D+01 -0.476573D+01 -0.653606D+01 -0.362545D+01
      3   0.557375D+01  0.374661D+01  0.343507D+01  0.169337D+01  0.134016D+01
               171           172           173           174           175 
      1   0.147414D+01  0.173968D+01 -0.336745D+00  0.274465D+01 -0.890106D+00
      2  -0.536248D+01  0.175951D+01 -0.603808D+00  0.341869D+01 -0.452554D+00
      3   0.287378D+01  0.520869D+00  0.454150D+00 -0.103307D+01  0.133647D+01
               176           177           178           179           180 
      1   0.221017D+01 -0.243629D+01  0.399058D+01 -0.354766D+00  0.168416D+02
      2   0.266410D+01 -0.180533D+01  0.182860D+01 -0.453960D+01  0.179959D+02
      3   0.104379D+01 -0.217327D+01 -0.146661D+01 -0.473663D+01  0.209030D+01
               181           182           183           184           185 
      1  -0.202261D+01 -0.816897D+00 -0.315813D+01 -0.109133D+01 -0.230860D+01
      2  -0.146339D+01 -0.520614D+00 -0.231904D+00 -0.260641D+00 -0.147399D+01
      3   0.151410D+02  0.137449D+02  0.303002D+01  0.108611D+02  0.175070D+02
               186           187           188           189           190 
      1  -0.403562D+01 -0.901712D+00 -0.139993D+01 -0.587914D+00 -0.515922D+01
      2  -0.111650D+01 -0.155212D+01 -0.251142D+01 -0.236544D+00 -0.602245D+01
      3   0.304686D+01  0.294193D+01  0.411207D+01  0.383915D+01 -0.449380D+01
               191           192           193           194           195 
      1   0.171092D+01  0.524504D+01  0.250979D+01 -0.244269D+01 -0.291703D+01
      2   0.283003D+01  0.734075D+01  0.185041D+01 -0.310131D+01 -0.265100D+01
      3  -0.219821D+01  0.222780D+01  0.188197D+01  0.249919D+01  0.100998D+01
               196           197           198           199           200 
      1   0.442007D+01 -0.142459D+01 -0.336749D+01  0.151560D+00  0.315251D+00
      2   0.497639D+01 -0.340105D+01 -0.454929D+01 -0.220187D+00 -0.497904D+00
      3   0.198602D+01  0.343402D+01 -0.557881D+00  0.109377D+01  0.405800D+00
               201           202           203           204           205 
      1   0.251847D+00  0.441228D+01  0.815086D+00 -0.283014D+01  0.252064D+01
      2   0.112718D-01  0.129275D+01  0.128333D+01 -0.936986D+00 -0.249283D+01
      3  -0.777551D+00  0.315448D+01  0.325177D+00 -0.343770D+00 -0.185920D+01
               206           207           208           209           210 
      1   0.121839D+01  0.337637D+01 -0.865216D+00  0.446167D+00  0.295234D-01
      2  -0.110201D+00  0.256648D+01 -0.109423D+01  0.508212D+00 -0.313076D+00
      3  -0.860265D+00  0.646899D+00 -0.198703D+01 -0.334840D+00 -0.185279D-02
               211           212           213           214           215 
      1   0.170630D+01 -0.193163D+01 -0.223255D+00  0.808880D+00  0.361938D+01
      2   0.193062D+00 -0.380289D+01  0.486092D+01 -0.373355D+01  0.422388D+01
      3   0.351416D+01 -0.341217D+01  0.371692D+01  0.525439D+00  0.426804D+01
               216           217           218           219           220 
      1   0.602473D+00 -0.179394D+00 -0.233272D+01  0.585027D-01  0.124913D+00
      2  -0.999320D+01  0.109701D+01  0.217938D+01 -0.237497D+01  0.492477D+00
      3  -0.490354D+01  0.283172D+01  0.460861D+01 -0.100807D+01  0.231608D+01
               221           222           223           224           225 
      1  -0.120998D+02 -0.518023D+00  0.158363D+01 -0.100275D+01 -0.569822D+00
      2   0.382064D+01 -0.349409D+01 -0.830684D+00 -0.252567D+01  0.194785D+01
      3   0.270527D+02 -0.265651D+01 -0.137178D+01  0.151963D+01  0.271421D+01
               226           227           228           229           230 
      1   0.102245D+01 -0.176101D+01 -0.367749D+01  0.183067D+00  0.202769D+01
      2   0.764338D+01 -0.190582D+01 -0.119412D+02 -0.184946D+01  0.574776D+01
      3  -0.175945D+01  0.192286D+01 -0.393281D-01  0.166900D+01 -0.998955D+00
               231           232           233           234           235 
      1   0.372243D+01 -0.214477D+01  0.348479D+01  0.666297D+01  0.149132D+01
      2   0.854668D+01 -0.805276D+01  0.461044D+01  0.226049D+02 -0.210463D+01
      3  -0.439133D+01  0.169009D+00 -0.305472D+01 -0.288972D+01 -0.476541D+01
               236           237           238           239           240 
      1   0.172344D+01  0.101436D+01  0.836012D+00 -0.214327D+00 -0.195251D+00
      2  -0.323006D+00  0.546555D+01  0.390692D+00  0.479441D+00  0.173914D+01
      3  -0.570961D+01 -0.127540D+01 -0.245053D+01  0.688497D+00 -0.985993D+00
               241           242           243 
      1   0.799307D+00  0.114373D+01  0.951410D+00
      2   0.673164D+00  0.100986D+01  0.273265D+01
      3  -0.169551D+01 -0.921144D+00 -0.159717D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.345609D+01  0.124491D+02  0.170839D+02  0.121371D+02  0.146047D+02
      2   0.827467D+01 -0.951638D+01 -0.164630D+02 -0.959214D+01  0.109825D+01
      3  -0.117308D+02 -0.293273D+01 -0.620987D+00 -0.254495D+01 -0.157029D+02
      4   0.132126D+02  0.342670D+01 -0.718109D+01  0.503955D+01 -0.147665D+02
      5   0.256056D+02 -0.130800D+02 -0.258747D+02 -0.140089D+02  0.402241D+01
      6  -0.146392D+02 -0.819759D+01  0.289976D+01 -0.740024D+01  0.105694D+02
                 6             7             8             9            10 
      1   0.106331D+00  0.131753D+02 -0.285024D+00 -0.160814D+02 -0.196670D+02
      2   0.318111D+01 -0.127461D+02  0.210724D+01 -0.167745D+01  0.166411D+02
      3  -0.328744D+01 -0.429153D+00 -0.182221D+01  0.177589D+02  0.302582D+01
      4   0.976570D+01 -0.729145D+01  0.854966D+01  0.663002D+01 -0.346841D+02
      5   0.465544D+01 -0.242666D+02  0.597475D+01 -0.195645D+01 -0.126195D+02
      6  -0.122949D+02  0.339464D+01 -0.106328D+02 -0.116642D+01  0.883175D+01
                11            12            13            14            15 
      1  -0.192956D+02 -0.868142D+01 -0.234916D+02 -0.219677D+02 -0.964048D+01
      2   0.139072D+02  0.537269D+01  0.167293D+02  0.155304D+01  0.567169D+01
      3   0.538845D+01  0.330873D+01  0.676231D+01  0.204147D+02  0.396879D+01
      4  -0.472781D+01  0.315165D+01 -0.542289D+01  0.222361D+01 -0.135566D+02
      5   0.804541D-01  0.111493D+02  0.181839D+01 -0.918944D+01 -0.608885D+01
      6  -0.191881D+01 -0.225557D+01  0.652413D+00  0.667471D+01  0.473526D+01
                16            17            18            19            20 
      1  -0.122802D+01 -0.867702D+01  0.105132D+02  0.594382D+02  0.106779D+02
      2  -0.448261D+01  0.813752D+01  0.119858D+01 -0.503411D+02 -0.106222D+02
      3   0.571063D+01  0.539497D+00 -0.117118D+02 -0.909712D+01 -0.557723D-01
      4   0.809894D+01 -0.165470D+02 -0.119896D+02  0.180386D+02 -0.121179D+02
      5   0.115414D+02 -0.854592D+01  0.142320D+02 -0.192136D+02 -0.738772D+01
      6  -0.587701D+01  0.421465D+01 -0.582145D+01 -0.217249D+02 -0.566219D+01
                21            22            23            24            25 
      1   0.959260D+00  0.992516D+01  0.998351D+01 -0.122537D+01  0.323853D+01
      2  -0.142333D+01 -0.123666D+02 -0.766421D+01 -0.659771D+01  0.854511D+00
      3   0.464073D+00  0.244148D+01 -0.231930D+01  0.782308D+01 -0.409304D+01
      4  -0.705023D+01 -0.268912D+02 -0.656173D+01  0.269203D+01 -0.128471D+02
      5  -0.107703D+01 -0.116879D+02 -0.492113D+01  0.619979D+01 -0.743572D+01
      6  -0.990543D+00 -0.100116D+02 -0.621532D+01 -0.200353D+01 -0.123648D+01
                26            27            28            29            30 
      1  -0.122945D+01  0.571309D+01 -0.129589D+03 -0.137610D+02  0.600517D+01
      2  -0.769384D+01  0.692597D+01  0.830156D+02  0.780814D+01 -0.504374D+01
      3   0.892329D+01 -0.126391D+02  0.465735D+02  0.595285D+01 -0.961430D+00
      4   0.381569D+01  0.877513D+01 -0.213107D+02 -0.100314D+02  0.503471D+00
      5   0.461475D+01 -0.386248D+01  0.358466D+02  0.272368D+01 -0.116311D+02
      6  -0.806451D+00  0.676068D+01  0.248751D+02  0.591821D+01 -0.140938D+00
                31            32            33            34            35 
      1  -0.401852D+02 -0.263555D+02 -0.540497D+01  0.271894D+02 -0.286857D+01
      2   0.276723D+02  0.205823D+02  0.331532D+01 -0.140345D+02  0.539143D+01
      3   0.125128D+02  0.577327D+01  0.208965D+01 -0.131549D+02 -0.252286D+01
      4  -0.154320D+02 -0.120501D+02 -0.395788D+01  0.393502D+01 -0.298032D+01
      5   0.799449D+01  0.161664D+01 -0.208037D+00 -0.978799D+01  0.222942D+01
      6   0.687369D+01  0.107242D+02  0.416681D+01 -0.300915D+00  0.188509D+01
                36            37            38            39            40 
      1  -0.126213D+02  0.183200D+03  0.318737D+02 -0.165352D+02  0.350112D+02
      2   0.263698D+01 -0.106003D+03 -0.183656D+02  0.111558D+02 -0.167781D+02
      3   0.998433D+01 -0.771972D+02 -0.135081D+02  0.537938D+01 -0.182332D+02
      4   0.139106D+01  0.403876D+02  0.193950D+02  0.320299D+00  0.308419D+02
      5  -0.354048D+00 -0.522825D+02 -0.416093D+01  0.134164D+02 -0.146750D+01
      6   0.504734D+01 -0.245646D+02 -0.656640D+01  0.103721D+01 -0.102630D+02
                41            42            43            44            45 
      1   0.993825D+01 -0.943422D+01 -0.636925D+01 -0.820533D+01  0.105542D+02
      2   0.113155D+01 -0.141135D+01  0.105276D+02  0.332318D+01 -0.540462D+01
      3  -0.110698D+02  0.108456D+02 -0.415834D+01  0.488215D+01 -0.514954D+01
      4   0.721990D+01  0.147102D+01  0.982527D+01  0.549921D+01 -0.976098D+01
      5   0.197338D+01 -0.114220D+02  0.177908D+02 -0.843733D+01  0.614622D+01
      6  -0.249833D+00  0.995869D+00  0.907949D+00  0.384330D+00  0.993404D+01
                46            47            48            49            50 
      1  -0.171602D+03 -0.356780D+02  0.312828D+02 -0.542962D+02 -0.210724D+02
      2   0.900369D+02  0.158691D+02 -0.160962D+02  0.275077D+02  0.110560D+02
      3   0.815647D+02  0.198088D+02 -0.151866D+02  0.267885D+02  0.100164D+02
      4  -0.615779D+02 -0.307686D+02  0.998566D+01 -0.203559D+02 -0.115467D+02
      5   0.638079D+02  0.140742D+02 -0.246309D+02  0.275222D+02  0.966340D+00
      6   0.211778D+02  0.293497D+01 -0.554104D+01 -0.304103D+00  0.664816D+01
                51            52            53            54            55 
      1   0.117289D+02  0.302685D+02  0.107420D+02 -0.158496D+02  0.179418D+03
      2  -0.951244D+01 -0.997666D+01  0.583419D+00  0.118081D+02 -0.912477D+02
      3  -0.221644D+01 -0.202918D+02 -0.113254D+02  0.404149D+01 -0.881707D+02
      4  -0.584430D+00  0.199715D+02 -0.608201D+00  0.410103D+01  0.548770D+02
      5   0.272909D+01 -0.184451D+02  0.514336D+01 -0.904043D+01 -0.608378D+02
      6   0.973006D+00  0.452654D+01 -0.204754D+01  0.450125D+01 -0.107878D+02
                56            57            58            59            60 
      1   0.363017D+02 -0.338864D+02  0.668023D+02  0.309253D+02 -0.633429D+01
      2  -0.134880D+02  0.211754D+02 -0.279914D+02 -0.417509D+01  0.175117D+01
      3  -0.228137D+02  0.127110D+02 -0.388109D+02 -0.267502D+02  0.458312D+01
      4   0.376149D+02 -0.103970D+02  0.604127D+02  0.424505D+02 -0.160360D+02
      5  -0.124532D+02  0.361744D+02 -0.215013D+02 -0.177912D+02  0.120223D+02
      6  -0.499248D+01  0.485348D+01 -0.107732D+02 -0.845249D+01  0.898172D+01
                61            62            63            64            65 
      1  -0.741758D+02 -0.113442D+02  0.263246D+02 -0.287454D+01  0.325759D+02
      2   0.441298D+02  0.456123D+01 -0.233247D+02 -0.130654D+02 -0.264976D+02
      3   0.300460D+02  0.678297D+01 -0.299998D+01  0.159400D+02 -0.607836D+01
      4  -0.229829D+02 -0.138262D+02  0.143484D+02  0.314706D+02 -0.127813D+02
      5   0.597399D+02  0.162703D+02 -0.384081D+02  0.145070D+02 -0.511492D+01
      6   0.111307D+02  0.960159D+01 -0.564605D+01 -0.141551D+02  0.277998D+01
                66            67            68            69            70 
      1   0.166213D+02  0.285968D+02  0.799241D+01  0.810266D+00  0.159036D+02
      2  -0.671326D+01 -0.232828D+02  0.771794D+00 -0.803453D+01 -0.201011D+01
      3  -0.990804D+01 -0.531405D+01 -0.876421D+01  0.722427D+01 -0.138935D+02
      4  -0.144029D+02 -0.731228D+01 -0.139250D+02  0.105017D+02 -0.185410D+02
      5  -0.105687D+02 -0.497913D+01  0.104442D+02  0.592180D+01 -0.135107D+02
      6   0.814278D+01  0.381506D+01 -0.104172D+02 -0.481062D+01  0.119010D+02
                71            72            73            74            75 
      1  -0.121054D+01 -0.717633D+01 -0.649234D+01 -0.887860D+01 -0.189517D+01
      2  -0.999672D+01  0.614458D+01  0.394106D+01  0.321499D+01  0.750844D+01
      3   0.112073D+02  0.103176D+01  0.255129D+01  0.566361D+01 -0.561327D+01
      4   0.123042D+02  0.167714D+02 -0.885467D+01  0.529298D+01  0.167744D+02
      5   0.106554D+02 -0.285402D+02  0.627761D+01  0.169961D+02 -0.211417D+02
      6  -0.586331D+01  0.201443D+02  0.302077D+01  0.847656D+01  0.221596D+00
                76            77            78            79            80 
      1  -0.106285D+02  0.213198D+02  0.276618D+02  0.209116D+01  0.283231D+02
      2   0.531636D+01 -0.930656D+01 -0.155026D+02  0.886596D+01 -0.162530D+02
      3   0.531216D+01 -0.120132D+02 -0.121592D+02 -0.109571D+02 -0.120701D+02
      4   0.139210D+02  0.148346D+02  0.120690D+02  0.294713D+02  0.165075D+02
      5   0.274420D+02  0.834132D+01  0.647822D+01 -0.296353D+02  0.444126D+01
      6   0.838355D+01  0.173338D+01 -0.711365D+00 -0.163807D+01 -0.251129D+00
                81            82            83            84            85 
      1  -0.229288D+02 -0.347656D+02  0.344314D+01  0.942215D+01  0.315564D+01
      2   0.161098D+02  0.326401D+02  0.882037D+01 -0.815437D+01  0.945935D+01
      3   0.681900D+01  0.212548D+01 -0.122635D+02 -0.126777D+01 -0.126150D+02
      4   0.246555D+00  0.172253D+02  0.165019D+02  0.446845D+00  0.216426D+02
      5  -0.107753D+02  0.115214D+02  0.291175D+01  0.238390D+01  0.286726D+01
      6   0.476467D+01  0.170965D+02 -0.273113D+00  0.621975D-01  0.205941D+01
                86            87            88            89            90 
      1   0.731212D+01 -0.449291D+01  0.213977D+02 -0.313740D+00  0.213908D+02
      2  -0.129283D+01  0.125009D+02 -0.180685D+02  0.114795D+02 -0.171199D+02
      3  -0.601929D+01 -0.800797D+01 -0.332915D+01 -0.111657D+02 -0.427094D+01
      4   0.335950D+01 -0.447866D+01 -0.144502D+01 -0.796570D+01 -0.136208D+02
      5   0.297790D+01 -0.118764D+02 -0.361464D+00 -0.164241D+02 -0.685222D+01
      6   0.591763D+00 -0.158225D+02 -0.492812D+01 -0.251863D+02 -0.169164D+02
                91            92            93            94            95 
      1  -0.564283D+02  0.374143D+00 -0.320888D+02 -0.960515D+01  0.220381D+02
      2   0.350242D+02 -0.612263D+01  0.794252D+01  0.265160D+01 -0.229715D+02
      3   0.214041D+02  0.574848D+01  0.241463D+02  0.695355D+01  0.933370D+00
      4   0.148020D+01  0.152431D+02  0.717346D+00  0.112195D+02  0.254264D+02
      5  -0.296545D+02 -0.147409D+01  0.947536D+01 -0.681548D+01  0.302597D+01
      6  -0.331022D+00  0.508671D+01 -0.140508D+00  0.393946D+01  0.759726D+01
                96            97            98            99           100 
      1   0.347526D+01 -0.190648D+02  0.517463D+01  0.185050D+02  0.392073D+02
      2   0.787148D+01  0.324923D+01  0.314090D+00 -0.373078D+01 -0.254846D+02
      3  -0.113467D+02  0.158156D+02 -0.548872D+01 -0.147742D+02 -0.137227D+02
      4   0.544095D+00 -0.324026D+01  0.487480D+01 -0.144395D+02  0.184513D+01
      5  -0.142310D+02  0.139816D+02 -0.119151D+02  0.409580D+01  0.267173D+02
      6   0.196417D+01 -0.213715D+01  0.523619D+01 -0.889285D+01  0.101285D+00
               101           102           103           104           105 
      1  -0.162112D+01  0.178234D+02 -0.988137D+01  0.372739D+01 -0.757539D+01
      2   0.165681D+01 -0.136666D+02  0.706149D+01 -0.314951D+01  0.604352D+01
      3  -0.356894D-01 -0.415681D+01  0.281987D+01 -0.577882D+00  0.153188D+01
      4   0.601251D+01 -0.159032D+01  0.800204D+01 -0.664993D+01  0.504275D+01
      5  -0.379261D+01  0.221973D+02 -0.105222D+02  0.683564D+01 -0.850831D+01
      6   0.969106D+00  0.131229D+01  0.205892D+01 -0.167581D+01  0.342019D+01
               106           107           108           109           110 
      1   0.262080D+02 -0.530672D+01  0.177858D+02  0.537628D+02  0.158618D+02
      2  -0.221327D+02  0.492120D+01 -0.211814D+02 -0.247248D+02 -0.495354D+01
      3  -0.407536D+01  0.385522D+00  0.339552D+01 -0.290380D+02 -0.109083D+02
      4  -0.258325D+01  0.719039D+01 -0.228518D+00  0.284747D+02  0.160311D+02
      5   0.341767D+02 -0.310492D+01  0.364729D+02 -0.181077D+02 -0.764784D+01
      6   0.150764D+01  0.375777D+01  0.202490D+01 -0.674889D+01 -0.339570D+01
               111           112           113           114           115 
      1  -0.148061D+02  0.160917D+02  0.725030D+01 -0.680867D+01 -0.280196D+02
      2   0.665095D+01 -0.396359D+01  0.192576D+01  0.222952D+01  0.129153D+02
      3   0.815517D+01 -0.121281D+02 -0.917606D+01  0.457916D+01  0.151043D+02
      4  -0.103370D+02  0.203419D+02  0.169972D+02 -0.940523D+01 -0.192453D+02
      5   0.161894D+02 -0.907859D+01 -0.790339D+01  0.583514D+01  0.251696D+02
      6   0.392786D+01 -0.468031D+01 -0.336299D+01  0.458340D+01  0.763020D+01
               116           117           118           119           120 
      1  -0.103647D+02  0.161628D+02  0.716397D+00 -0.875608D+00  0.198857D+01
      2   0.333645D+01 -0.105513D+02 -0.361262D+01  0.433187D+00 -0.292723D+00
      3   0.702821D+01 -0.561145D+01  0.289623D+01  0.442421D+00 -0.169585D+01
      4  -0.151949D+02  0.110705D+02 -0.199711D+01  0.283570D+01 -0.798859D-01
      5   0.798612D+01 -0.196131D+02  0.158430D+01 -0.960930D+00  0.580911D+01
      6   0.522706D+01 -0.739325D+01 -0.181040D+01  0.666983D-01  0.396940D+00
               121           122           123           124           125 
      1   0.101229D+01 -0.669032D+01  0.663098D+01  0.320020D+00  0.469273D+01
      2  -0.722796D-01  0.162078D+01  0.646545D+00 -0.956782D+00  0.251781D+01
      3  -0.940011D+00  0.506954D+01 -0.727753D+01  0.636762D+00 -0.721054D+01
      4   0.310839D+01 -0.298760D+01  0.276474D+01 -0.159270D+00  0.440284D+01
      5  -0.140990D+01  0.225000D+01 -0.393635D+01  0.522473D+01 -0.292958D+01
      6   0.527737D+00 -0.515315D+01  0.704616D+01 -0.322452D+00  0.586377D+01
               126           127           128           129           130 
      1  -0.191827D+02 -0.147921D+01  0.727680D+01 -0.336073D+01  0.555829D+01
      2  -0.100598D+02  0.351509D+01 -0.101861D+02  0.355403D+01 -0.571190D+01
      3   0.292426D+02 -0.203588D+01  0.290930D+01 -0.193304D+00  0.153609D+00
      4  -0.401778D+01 -0.194685D+01  0.151148D+01 -0.211088D+01  0.356079D+01
      5   0.105909D+02 -0.175720D+01  0.377775D+00 -0.364777D+00  0.547585D+00
      6  -0.586339D+01 -0.444963D+01  0.115976D+01 -0.218219D+01  0.373390D+00
               131           132           133           134           135 
      1  -0.233753D+02  0.658979D+01 -0.671215D+01  0.122290D+02 -0.115169D+02
      2   0.359531D+02 -0.115912D+02  0.451509D+01 -0.203292D+02  0.126793D+02
      3  -0.125778D+02  0.500142D+01  0.219706D+01  0.810016D+01 -0.116245D+01
      4   0.122079D+02 -0.342348D+01 -0.421511D+01 -0.690364D+01  0.474015D+01
      5  -0.551352D+01  0.538781D+01 -0.377622D+00  0.710673D+01 -0.617145D+01
      6  -0.672290D+01  0.952995D+01 -0.613869D+00  0.116906D+02 -0.824239D+01
               136           137           138           139           140 
      1   0.374925D+01  0.453686D+01  0.369994D+01  0.243681D+01 -0.200138D+02
      2  -0.419787D+01 -0.331499D+01 -0.141959D+01 -0.158717D+01  0.190580D+02
      3   0.448618D+00 -0.122187D+01 -0.228035D+01 -0.849639D+00  0.955775D+00
      4   0.490592D+01  0.537707D+01  0.528040D+01  0.624667D+01  0.154219D+02
      5   0.387482D+01  0.387116D+01  0.610960D+01  0.337391D+01  0.106939D+02
      6   0.449210D+01  0.232218D+00  0.277571D+00  0.320872D+01  0.225357D+02
               141           142           143           144           145 
      1  -0.129837D+02 -0.946208D+00 -0.209269D+02 -0.270703D+02 -0.287396D+01
      2   0.888833D+01  0.107181D+01  0.112653D+02  0.542477D+01 -0.518453D+00
      3   0.409539D+01 -0.125605D+00  0.966161D+01  0.216455D+02  0.339241D+01
      4   0.105393D+02  0.923846D+01  0.152446D+02  0.149809D+02  0.130875D+01
      5   0.102760D+02  0.970585D+01  0.170805D+02  0.222745D+02 -0.202361D+01
      6   0.208376D+02  0.660971D+01  0.299397D+02  0.346595D+02 -0.223981D+01
               146           147           148           149           150 
      1   0.298172D+01 -0.557754D+01  0.342655D+01 -0.132125D+02  0.967535D+01
      2  -0.420875D+00  0.148464D+01 -0.151207D+01  0.535399D+01  0.337940D+01
      3  -0.256085D+01  0.409291D+01 -0.191448D+01  0.785847D+01 -0.130548D+02
      4  -0.601366D-01  0.765011D+00  0.259272D+00  0.183946D+02 -0.776679D+01
      5  -0.110726D+01  0.388287D+01 -0.348206D+01 -0.499410D+01  0.796597D+01
      6   0.415518D+01 -0.219725D+01  0.308094D+01 -0.223040D+02  0.128174D+02
               151           152           153           154           155 
      1  -0.307608D+01  0.680658D+01 -0.705372D+01  0.244315D+02 -0.430418D+01
      2   0.136450D+01  0.145922D+01 -0.267176D+01 -0.227083D+02  0.330588D+01
      3   0.171158D+01 -0.826580D+01  0.972548D+01 -0.172323D+01  0.998298D+00
      4   0.433350D+00 -0.504551D+01  0.490375D+01 -0.122563D+02  0.917447D+01
      5   0.415079D+01  0.347789D+01 -0.399502D+01 -0.391286D+02  0.951053D+01
      6  -0.165391D+01  0.108124D+02 -0.815270D+01  0.848165D+01 -0.619354D+01
               156           157           158           159           160 
      1  -0.858326D+01 -0.468626D+01  0.408638D+00 -0.756986D+00 -0.646858D+01
      2   0.180874D+02  0.362508D+01 -0.199515D+01 -0.310296D+01  0.146067D+02
      3  -0.950416D+01  0.106118D+01  0.158651D+01  0.385995D+01 -0.813815D+01
      4   0.749810D+01  0.893678D+01 -0.567174D+01 -0.781453D+01  0.551268D+01
      5   0.336536D+02  0.998855D+01 -0.896274D+01 -0.910040D+01  0.265372D+02
      6  -0.651345D+01 -0.592220D+01  0.461126D+01  0.856276D+01 -0.516639D+01
               161           162           163           164           165 
      1  -0.436669D+00  0.173727D+01 -0.117094D+02 -0.973016D+01 -0.136960D+02
      2  -0.232401D+01 -0.160330D+02  0.249234D+01  0.519895D+01  0.536205D+00
      3   0.276068D+01  0.142957D+02  0.921704D+01  0.453121D+01  0.131598D+02
      4  -0.473061D+01 -0.673709D+01  0.154480D+00 -0.117833D+01  0.194482D+00
      5  -0.674677D+01 -0.281433D+02  0.767578D+01  0.474833D+01  0.388346D+01
      6   0.625724D+01  0.724910D+01  0.864254D+01  0.927290D+01  0.656770D+01
               166           167           168           169           170 
      1  -0.857761D+01 -0.137366D+02 -0.993159D+01 -0.745377D+01 -0.585856D+01
      2   0.504895D+01  0.801334D+01  0.342108D+00  0.477869D+00 -0.233968D+00
      3   0.352866D+01  0.572325D+01  0.958948D+01  0.697591D+01  0.609253D+01
      4   0.786535D-01 -0.204930D+01 -0.330896D+01  0.514292D+00 -0.172567D+01
      5   0.654670D+01  0.137672D+01 -0.196157D+01  0.600487D+01 -0.118915D+00
      6   0.689936D+01  0.106779D+02  0.105178D+02  0.381321D+01  0.730929D+01
               171           172           173           174           175 
      1  -0.980665D+01  0.497015D+01 -0.494074D+01  0.412121D+01 -0.119436D+01
      2  -0.157384D+01 -0.188684D+01  0.259423D+01 -0.304918D+01  0.407625D+00
      3   0.113805D+02 -0.308331D+01  0.234651D+01 -0.107203D+01  0.786738D+00
      4  -0.169512D+01 -0.854193D+01  0.577533D+01 -0.446625D+01  0.387404D+01
      5   0.699636D+00  0.697758D+01 -0.253049D+01  0.105342D+02 -0.146006D+01
      6   0.713223D+01 -0.355034D+01  0.179345D+01 -0.498353D+01  0.224447D+01
               176           177           178           179           180 
      1  -0.344815D+01  0.324310D+01  0.436387D+01  0.463874D+01 -0.541861D+01
      2   0.267165D+01 -0.434417D+01 -0.356580D+01 -0.613920D+01 -0.755426D+01
      3   0.776500D+00  0.110107D+01 -0.798065D+00  0.150045D+01  0.129729D+02
      4  -0.254161D+01  0.630313D+01 -0.850101D+01  0.120960D+02 -0.141545D+02
      5   0.589599D+01 -0.417124D+01  0.153861D+02 -0.110656D+02  0.385035D+02
      6  -0.542970D+01  0.861789D+01 -0.899881D+01  0.131089D+02 -0.301347D+02
               181           182           183           184           185 
      1  -0.146506D+02 -0.238034D+02 -0.544112D+01 -0.150195D+02 -0.273758D+02
      2   0.152761D+02  0.278350D+02  0.395793D+01  0.155458D+02  0.366944D+02
      3  -0.625522D+00 -0.403168D+01  0.148319D+01 -0.526356D+00 -0.931860D+01
      4   0.534563D+01 -0.559718D+00  0.274105D+01  0.497339D+01 -0.681720D+01
      5  -0.335189D+01 -0.540036D+00 -0.110592D+01 -0.687666D+00 -0.322730D+01
      6   0.325257D+01  0.127779D+01  0.498956D+01  0.924796D+00  0.355095D+01
               186           187           188           189           190 
      1  -0.420681D+01 -0.560989D+01 -0.539243D+01 -0.600716D+01  0.438045D+02
      2   0.555995D+01  0.299544D+01  0.802098D+01  0.520777D+01 -0.114419D+02
      3  -0.135315D+01  0.261446D+01 -0.262855D+01  0.799384D+00 -0.323626D+02
      4  -0.153540D+01  0.380968D+01 -0.405318D+01 -0.210415D+01 -0.464119D+02
      5  -0.297370D+01  0.962564D+00 -0.357947D+01  0.872073D+00 -0.146274D+02
      6   0.615070D+01  0.209717D+01  0.739424D+01  0.168216D+01  0.933516D+01
               191           192           193           194           195 
      1  -0.160348D+02 -0.120706D+02 -0.115291D+02  0.479288D+01  0.117372D+01
      2  -0.131707D+01  0.444247D+01 -0.170193D+01  0.754100D+01  0.333521D+01
      3   0.173518D+02  0.762814D+01  0.132310D+02 -0.123339D+02 -0.450894D+01
      4   0.304779D+02  0.127486D+02  0.233531D+02 -0.202905D+02 -0.857229D+01
      5   0.593066D+01  0.129996D+02  0.523189D+01 -0.617305D+01 -0.432564D+01
      6  -0.497610D+01 -0.867135D+01 -0.406009D+01  0.573888D+01  0.500545D+01
               196           197           198           199           200 
      1  -0.150356D+02  0.267397D+01  0.742259D+01 -0.157911D+01 -0.171489D+01
      2   0.402646D+01  0.507968D+01 -0.323849D+01  0.185816D+01  0.145340D+01
      3   0.110091D+02 -0.775365D+01 -0.418409D+01 -0.279054D+00  0.261494D+00
      4   0.193303D+02 -0.157997D+02 -0.134648D+02 -0.155348D+01  0.181391D+01
      5   0.149802D+02 -0.839094D+01 -0.995649D+01  0.245210D+01 -0.147849D+01
      6  -0.102755D+02  0.745199D+01  0.673358D+01 -0.240671D+00  0.395011D+00
               201           202           203           204           205 
      1   0.150401D+01 -0.207314D+01 -0.320866D+01  0.559060D+01  0.278090D+01
      2  -0.108908D+01 -0.156257D+01  0.348797D+01 -0.323810D+01 -0.264990D+01
      3  -0.414932D+00  0.363571D+01 -0.279315D+00 -0.235249D+01 -0.130999D+00
      4  -0.217448D+01  0.150381D+01 -0.200507D+01  0.318614D+01 -0.260846D+01
      5   0.391802D+01 -0.133622D+01  0.147248D+01 -0.272930D+01  0.364666D+01
      6  -0.444344D+00  0.226379D+00 -0.456157D+01  0.400471D+01 -0.461369D+00
               206           207           208           209           210 
      1   0.589822D+01 -0.681352D+01 -0.141223D+00  0.238742D+01 -0.381078D+01
      2  -0.484580D+01  0.116869D+01 -0.137105D+01 -0.115633D+01  0.926975D+00
      3  -0.105242D+01  0.564483D+01  0.151227D+01 -0.123109D+01  0.288381D+01
      4   0.380890D+01 -0.451577D+01  0.206205D+01  0.226813D+01 -0.201300D+01
      5  -0.369699D+01  0.559227D+01 -0.300233D+01 -0.224176D+01  0.450656D+01
      6   0.422747D+01 -0.668386D+01 -0.270062D+01  0.368473D+00  0.640418D-02
               211           212           213           214           215 
      1   0.272964D+01 -0.921356D+01  0.975319D+01 -0.278947D+01  0.945946D+01
      2  -0.356173D+01  0.401635D+01 -0.102841D+01  0.149230D+01 -0.233487D+01
      3   0.832091D+00  0.519721D+01 -0.872478D+01  0.129717D+01 -0.712460D+01
      4   0.504087D+00  0.539357D+01 -0.532701D+01 -0.269820D+01 -0.537234D+01
      5  -0.363633D+01 -0.643242D+01  0.936146D+01  0.331126D+01  0.760414D+01
      6  -0.108717D+00 -0.792603D+01  0.812259D+01  0.164737D+01  0.873886D+01
               216           217           218           219           220 
      1  -0.208910D+02  0.344362D+01 -0.960275D+01  0.470542D+01 -0.103762D+02
      2  -0.319574D+01  0.581047D+00  0.782034D+01 -0.827259D+00  0.489359D+01
      3   0.240868D+02 -0.402466D+01  0.178241D+01 -0.387816D+01  0.548261D+01
      4   0.652667D+01 -0.403281D+01 -0.287100D+01  0.104396D+01  0.707280D+01
      5  -0.180810D+02  0.104486D+01 -0.662599D+00 -0.349553D+01 -0.604401D+01
      6  -0.110176D+02 -0.164915D+01 -0.286567D+01  0.152704D+01  0.147393D+01
               221           222           223           224           225 
      1  -0.215191D+02  0.137211D+01  0.279236D+01  0.100840D+01 -0.663127D+01
      2   0.337874D+02 -0.584397D+00 -0.100901D+01  0.225772D+01  0.357962D+01
      3  -0.122682D+02 -0.787712D+00 -0.178335D+01 -0.326612D+01  0.305165D+01
      4  -0.468369D+02  0.590769D+01  0.176104D+01 -0.232756D+01 -0.397871D+01
      5   0.344741D+01 -0.910295D+01 -0.527410D+00 -0.417800D+01  0.673789D+00
      6  -0.160597D+02  0.725505D+01 -0.734036D-02  0.523935D+01 -0.100346D+01
               226           227           228           229           230 
      1  -0.537869D+01  0.415251D+01  0.173944D+02  0.548192D+01 -0.986985D+01
      2  -0.206625D+01 -0.263847D+00  0.126753D-01 -0.212171D+01  0.367658D+01
      3   0.744494D+01 -0.388866D+01 -0.174071D+02 -0.336022D+01  0.619327D+01
      4   0.421810D+01 -0.537168D+01 -0.103775D+01 -0.221517D+01  0.219203D+01
      5   0.186612D+01  0.982438D+00 -0.833282D+01  0.262582D+01  0.473881D+01
      6   0.159722D+01 -0.349842D+01 -0.417846D+00 -0.181117D+01  0.324877D+01
               231           232           233           234           235 
      1  -0.669473D+01  0.170882D+02 -0.542067D+01 -0.256276D+02  0.843334D+02
      2  -0.383882D+01 -0.522548D+01 -0.163493D+01 -0.971195D+01 -0.469773D+02
      3   0.105336D+02 -0.118627D+02  0.705559D+01  0.353395D+02 -0.373561D+02
      4   0.642922D+01 -0.352238D+01  0.686392D+01  0.658692D+01 -0.134893D+02
      5   0.107518D+02  0.143982D+01  0.443811D+01  0.270899D+02  0.421343D+02
      6   0.655349D+01 -0.119809D+01  0.520811D+01  0.237102D+01 -0.131229D+01
               236           237           238           239           240 
      1  -0.351913D+01  0.215371D+02  0.361224D+01  0.716382D+01  0.550838D+00
      2   0.740949D+00 -0.154277D+02 -0.298031D+01 -0.223434D+01 -0.167364D+01
      3   0.277818D+01 -0.610948D+01 -0.631929D+00 -0.492948D+01  0.112280D+01
      4   0.121189D+02 -0.363852D+01  0.112621D+02 -0.307226D+01  0.383739D+01
      5  -0.188226D+01  0.233053D+02  0.215841D+01  0.502914D+01  0.305080D+01
      6   0.365301D+01 -0.174383D+01  0.387894D+01 -0.679834D+00  0.216601D+01
               241           242           243 
      1   0.132739D+02 -0.934272D+00  0.103240D+02
      2  -0.110921D+02 -0.984115D-01 -0.100985D+02
      3  -0.218178D+01  0.103268D+01 -0.225441D+00
      4  -0.202108D+01  0.192288D+01 -0.365181D+00
      5   0.191235D+02  0.460569D+00  0.137928D+02
      6  -0.200102D+01  0.164198D+01 -0.378230D+00
 Leave Link  716 at Sun Sep 26 20:20:48 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168526D+03  0.834970D+01 -0.471336D+01
      2   0.834970D+01  0.110403D+03 -0.430806D+01
      3  -0.471336D+01 -0.430806D+01  0.111365D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.645532D+01  0.999390D+01  0.350048D+01
      2   0.145711D+02 -0.148735D+02 -0.229812D+02
      3  -0.302686D+02  0.381195D+02  0.211136D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.738251D+02  0.487559D+02 -0.198941D+02
      2  -0.512277D+02 -0.354708D+02 -0.122176D+02
      3  -0.225973D+02 -0.132851D+02  0.321117D+02
      4   0.424930D+02 -0.841795D+02 -0.515035D+02
      5  -0.126052D+02 -0.540576D+02 -0.437691D+02
      6  -0.288540D+02  0.210873D+01  0.327557D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.300372D+01 -0.331492D+01 -0.506073D+01 -0.389211D+01 -0.238377D+01
      2  -0.331492D+01 -0.227920D+01  0.311605D+00 -0.238377D+01  0.337066D+01
      3  -0.506073D+01  0.311605D+00  0.215930D+01  0.455412D+00 -0.304579D+01
                 6             7             8             9            10 
      1   0.455412D+00 -0.440649D+01  0.594245D+00  0.222544D+01 -0.195819D+02
      2  -0.304579D+01  0.594245D+00 -0.250278D+01 -0.123464D+01  0.506533D+01
      3  -0.102126D+01  0.222544D+01 -0.123464D+01  0.259854D+01  0.581421D+01
                11            12            13            14            15 
      1   0.506533D+01  0.581421D+01  0.713588D+01  0.540001D+00 -0.957601D+00
      2   0.215592D+01 -0.698571D-01  0.540001D+00 -0.629356D+00  0.260798D+01
      3  -0.698571D-01 -0.237389D+01 -0.957601D+00  0.260798D+01  0.192058D+01
                16            17            18            19            20 
      1   0.149710D+02 -0.930151D+00 -0.401490D+01  0.434090D+02  0.201926D+01
      2  -0.930151D+00  0.312041D+01  0.239852D+01  0.201926D+01  0.346286D+01
      3  -0.401490D+01  0.239852D+01 -0.313209D+01 -0.363803D+01  0.135600D+01
                21            22            23            24            25 
      1  -0.363803D+01 -0.271951D+01  0.759189D+01  0.396965D+01 -0.568770D+01
      2   0.135600D+01  0.759189D+01  0.192684D+01  0.574644D+00  0.325393D+01
      3   0.144085D+01  0.396965D+01  0.574644D+00 -0.381436D+01  0.299805D+01
                26            27            28            29            30 
      1   0.325393D+01  0.299805D+01 -0.599582D+02 -0.657529D+01  0.457548D+01
      2   0.432010D+00 -0.337559D+01 -0.657529D+01 -0.376432D+01 -0.364153D+00
      3  -0.337559D+01  0.269817D+01  0.457548D+01 -0.364153D+00 -0.244216D+01
                31            32            33            34            35 
      1  -0.136512D+02 -0.655934D+01 -0.503120D+00  0.850223D+01  0.202321D+00
      2  -0.655934D+01 -0.397044D+01 -0.128592D+01  0.202321D+00 -0.397062D+00
      3  -0.503120D+00 -0.128592D+01  0.186986D+01 -0.438651D+01  0.201499D+01
                36            37            38            39            40 
      1  -0.438651D+01  0.591755D+02  0.907790D+01 -0.578013D+01  0.143482D+02
      2   0.201499D+01  0.907790D+01  0.316882D+01  0.168386D+00  0.550341D+01
      3  -0.142723D+01 -0.578013D+01  0.168386D+00  0.129019D+01  0.933507D-01
                41            42            43            44            45 
      1   0.550341D+01  0.933507D-01 -0.725545D+01  0.419228D+00  0.347642D+01
      2   0.311254D+01  0.101365D+01  0.419228D+00  0.230062D+00 -0.282230D+01
      3   0.101365D+01 -0.273808D+01  0.347642D+01 -0.282230D+01  0.130861D+01
                46            47            48            49            50 
      1  -0.424618D+02 -0.895235D+01  0.544029D+01 -0.997913D+01 -0.308494D+01
      2  -0.895235D+01 -0.170383D+01  0.154716D+01 -0.308494D+01 -0.109504D+01
      3   0.544029D+01  0.154716D+01 -0.563950D+00  0.230497D+01 -0.197722D+00
                51            52            53            54            55 
      1   0.230497D+01  0.264017D+01  0.175344D+01 -0.197420D+01  0.337860D+02
      2  -0.197722D+00  0.175344D+01  0.305312D+00  0.101291D+01  0.695008D+01
      3   0.103326D+01 -0.197420D+01  0.101291D+01 -0.124265D+01 -0.513781D+01
                56            57            58            59            60 
      1   0.695008D+01 -0.513781D+01  0.156013D+02  0.726682D+01 -0.164281D+01
      2   0.279339D+01 -0.123561D+01  0.726682D+01  0.502079D+01 -0.203519D+01
      3  -0.123561D+01  0.239378D+01 -0.164281D+01 -0.203519D+01  0.983230D+00
                61            62            63            64            65 
      1  -0.165741D+02 -0.311249D+01  0.565344D+01  0.617549D+01 -0.463597D+01
      2  -0.311249D+01 -0.154064D+01  0.186953D+01 -0.463597D+01 -0.198038D+01
      3   0.565344D+01  0.186953D+01 -0.417683D+01 -0.310094D+01  0.503709D+00
                66            67            68            69            70 
      1  -0.310094D+01 -0.427947D+01 -0.187304D+01  0.669790D+00 -0.564317D+01
      2   0.503709D+00 -0.187304D+01  0.720675D+00 -0.219064D+01  0.796337D+00
      3   0.202255D+01  0.669790D+00 -0.219064D+01 -0.108967D+01  0.277881D+01
                71            72            73            74            75 
      1   0.796337D+00  0.277881D+01  0.752793D+00  0.969997D+00 -0.506185D+00
      2  -0.231970D+01 -0.201915D+01  0.969997D+00 -0.268653D+01 -0.297283D+01
      3  -0.201915D+01  0.559219D+01 -0.506185D+00 -0.297283D+01  0.231366D+01
                76            77            78            79            80 
      1   0.158753D+01 -0.323382D+01 -0.428774D+01 -0.102028D+01 -0.418143D+01
      2  -0.323382D+01 -0.231523D+01 -0.131111D+01 -0.418143D+01 -0.179064D+01
      3  -0.428774D+01 -0.131111D+01 -0.112840D+01  0.336691D+01 -0.840637D+00
                81            82            83            84            85 
      1   0.336691D+01 -0.720892D+01 -0.650836D+01 -0.183437D+01 -0.830965D+01
      2  -0.840637D+00 -0.650836D+01 -0.263850D+01  0.107891D+01 -0.450379D+01
      3   0.127900D+01 -0.183437D+01  0.107891D+01 -0.472947D-01  0.439921D+00
                86            87            88            89            90 
      1  -0.450379D+01  0.439921D+00  0.353044D+01  0.193593D+01 -0.178937D+00
      2   0.476923D+00 -0.369460D-01  0.193593D+01  0.734027D+00  0.472219D+01
      3  -0.369460D-01  0.364544D+01 -0.178937D+00  0.472219D+01  0.206224D+01
                91            92            93            94            95 
      1  -0.860187D+01 -0.670595D+00 -0.283152D+01 -0.230688D+01  0.148147D+01
      2  -0.670595D+00  0.214510D+01 -0.668425D-01  0.148147D+01  0.438236D+01
      3  -0.283152D+01 -0.668425D-01  0.261392D+01 -0.727275D+00 -0.604230D-01
                96            97            98            99           100 
      1  -0.727275D+00 -0.653192D+00 -0.525941D+00  0.299800D+01 -0.518578D+01
      2  -0.604230D-01 -0.525941D+00  0.502301D+00 -0.208469D+01  0.254737D+00
      3  -0.251875D+01  0.299800D+01 -0.208469D+01 -0.543572D+00 -0.269620D+01
               101           102           103           104           105 
      1   0.254737D+00 -0.269620D+01  0.141752D+01 -0.853696D+00  0.123369D+01
      2  -0.580825D+00  0.431463D+00 -0.853696D+00  0.984082D+00 -0.694843D+00
      3   0.431463D+00 -0.229943D+01  0.123369D+01 -0.694843D+00  0.114598D+01
               106           107           108           109           110 
      1  -0.406551D+01  0.855889D+00 -0.372969D+01 -0.716400D+01 -0.242323D+01
      2   0.855889D+00 -0.119468D+01  0.346743D+00 -0.242323D+01 -0.139369D+01
      3  -0.372969D+01  0.346743D+00 -0.455793D+01  0.223477D+01  0.999276D+00
               111           112           113           114           115 
      1   0.223477D+01 -0.247182D+01 -0.196143D+01  0.123167D+01  0.445300D+01
      2   0.999276D+00 -0.196143D+01 -0.192885D+01  0.101355D+01  0.188789D+01
      3  -0.184990D+01  0.123167D+01  0.101355D+01 -0.812211D+00 -0.313540D+01
               116           117           118           119           120 
      1   0.188789D+01 -0.313540D+01  0.495849D+00  0.680541D+00 -0.870268D+00
      2   0.174334D+01 -0.102166D+01  0.680541D+00 -0.292576D+00 -0.271765D+00
      3  -0.102166D+01  0.257753D+01 -0.870268D+00 -0.271765D+00  0.161911D-01
               121           122           123           124           125 
      1   0.178904D+01 -0.672237D+00 -0.119711D+00 -0.726703D+00  0.140765D-01
      2  -0.672237D+00  0.139138D+01 -0.137960D+01  0.140765D-01 -0.165871D+01
      3  -0.119711D+00 -0.137960D+01  0.201986D+01 -0.545160D+00  0.157672D+01
               126           127           128           129           130 
      1  -0.545160D+00  0.919343D+00 -0.407250D+00  0.732584D+00 -0.212435D+00
      2   0.157672D+01 -0.407250D+00  0.158098D+01 -0.495209D+00  0.750888D+00
      3  -0.593839D+01  0.732584D+00 -0.495209D+00  0.509011D+00 -0.314233D+00
               131           132           133           134           135 
      1   0.750888D+00 -0.314233D+00  0.136170D+01 -0.362113D+00  0.213972D+00
      2  -0.555320D+01  0.169530D+01 -0.362113D+00  0.318259D+01 -0.230571D+01
      3   0.169530D+01 -0.173872D+01  0.213972D+00 -0.230571D+01  0.213029D+01
               136           137           138           139           140 
      1   0.737678D+00 -0.439890D+00 -0.945831D+00  0.113678D+01 -0.374803D+00
      2  -0.439890D+00  0.184755D+00 -0.147846D+00 -0.374803D+00 -0.452108D+01
      3  -0.945831D+00 -0.147846D+00 -0.698764D-01 -0.586277D+00 -0.296839D+01
               141           142           143           144           145 
      1  -0.586277D+00 -0.201695D+01 -0.117429D+01 -0.955493D+00  0.613640D+00
      2  -0.296839D+01 -0.117429D+01 -0.438472D+01 -0.463564D+01 -0.673003D+00
      3  -0.278072D+01 -0.955493D+00 -0.463564D+01 -0.621014D+01  0.964292D+00
               146           147           148           149           150 
      1  -0.673003D+00  0.964292D+00 -0.938810D+00  0.925396D+00 -0.118457D+00
      2   0.909960D+00 -0.355151D+00  0.925396D+00 -0.548238D+01  0.230292D+01
      3  -0.355151D+00  0.353358D+00 -0.118457D+00  0.230292D+01 -0.284543D+01
               151           152           153           154           155 
      1   0.671781D+00 -0.251226D+00  0.914769D-01 -0.623752D+01  0.158594D+01
      2  -0.251226D+00  0.169316D+01 -0.159295D+01  0.158594D+01 -0.110835D+01
      3   0.914769D-01 -0.159295D+01  0.162636D+01  0.407870D+01 -0.934081D+00
               156           157           158           159           160 
      1   0.407870D+01  0.153832D+01 -0.106157D+01 -0.925370D+00  0.248073D+01
      2  -0.934081D+00 -0.106157D+01  0.763162D+00  0.141918D+01 -0.728111D+00
      3  -0.414063D+01 -0.925370D+00  0.141918D+01  0.142590D+01 -0.302516D+01
               161           162           163           164           165 
      1  -0.728111D+00 -0.302516D+01  0.354234D+01  0.180067D+01  0.189054D+01
      2   0.862091D+00  0.102813D+01  0.180067D+01  0.188851D+01  0.997407D+00
      3   0.102813D+01  0.378314D+01  0.189054D+01  0.997407D+00  0.216992D+01
               166           167           168           169           170 
      1   0.206069D+01  0.147632D+01  0.637829D+00  0.111157D+01  0.466988D+00
      2   0.147632D+01  0.225182D+01  0.176086D+01  0.466988D+00  0.101405D+01
      3   0.637829D+00  0.176086D+01  0.218615D+01  0.938745D+00  0.118749D+01
               171           172           173           174           175 
      1   0.938745D+00 -0.142086D+01  0.972815D+00 -0.962012D+00  0.470412D+00
      2   0.118749D+01  0.972815D+00 -0.166435D+00  0.304224D+00 -0.113483D+00
      3   0.190730D+01 -0.962012D+00  0.304224D+00 -0.117703D+01  0.280620D+00
               176           177           178           179           180 
      1  -0.113483D+00  0.280620D+00 -0.140251D+01  0.840867D+00 -0.204930D+01
      2   0.508704D+00 -0.110176D+01  0.840867D+00 -0.217488D+01  0.207137D+01
      3  -0.110176D+01  0.766750D+00 -0.204930D+01  0.207137D+01 -0.731494D+01
               181           182           183           184           185 
      1   0.264860D+01  0.202612D+01  0.766862D+00  0.153640D+01  0.179826D+01
      2   0.202612D+01  0.403843D+01  0.388325D+00  0.179826D+01  0.513549D+01
      3   0.766862D+00  0.388325D+00  0.822304D+00  0.252166D+00  0.834438D+00
               186           187           188           189           190 
      1   0.252166D+00  0.101242D+01  0.145578D+00  0.287531D+00 -0.741590D+01
      2   0.834438D+00  0.145578D+00  0.149130D+01  0.120585D+01  0.394451D+01
      3   0.883662D+00  0.287531D+00  0.120585D+01  0.197445D+00  0.218332D+01
               191           192           193           194           195 
      1   0.394451D+01  0.218332D+01  0.150755D+01 -0.218591D+01 -0.776939D+00
      2  -0.278102D+01 -0.926407D+00 -0.218591D+01  0.234303D+01  0.106327D+01
      3  -0.926407D+00 -0.177708D+01 -0.776939D+00  0.106327D+01  0.654903D+00
               196           197           198           199           200 
      1   0.342874D+01 -0.166894D+01 -0.216315D+01 -0.143183D+01 -0.912350D+00
      2  -0.166894D+01  0.206175D+01  0.134525D+01 -0.912350D+00  0.385962D-01
      3  -0.216315D+01  0.134525D+01  0.137708D+01  0.112824D+01 -0.222362D+00
               201           202           203           204           205 
      1   0.112824D+01 -0.155556D+01  0.810281D+00  0.298817D+00  0.127073D+01
      2  -0.222362D+00  0.810281D+00 -0.128009D+01  0.142927D+01  0.276061D+00
      3   0.403993D+00  0.298817D+00  0.142927D+01 -0.191940D+01  0.600859D+00
               206           207           208           209           210 
      1   0.276061D+00  0.600859D+00  0.945437D+00  0.723221D+00 -0.912916D+00
      2   0.169430D+01 -0.177298D+01  0.723221D+00  0.162262D-01  0.941711D-01
      3  -0.177298D+01  0.375548D+01 -0.912916D+00  0.941711D-01 -0.271087D+00
               211           212           213           214           215 
      1   0.111928D+01 -0.138949D-01 -0.405118D+00 -0.133634D+01 -0.255113D+00
      2  -0.138949D-01  0.190612D+01 -0.187719D+01 -0.255113D+00 -0.209807D+01
      3  -0.405118D+00 -0.187719D+01  0.274455D+01  0.916932D-01  0.245053D+01
               216           217           218           219           220 
      1   0.916932D-01  0.104975D+01 -0.769929D+00  0.180920D+00 -0.209195D+01
      2   0.245053D+01 -0.769929D+00 -0.112800D+01  0.210980D+00  0.267247D+00
      3  -0.567673D+01  0.180920D+00  0.210980D+00 -0.856362D+00 -0.599879D+00
               221           222           223           224           225 
      1   0.267247D+00 -0.599879D+00  0.627401D+00  0.158771D+00 -0.263416D+00
      2  -0.762643D+01  0.866011D+00  0.158771D+00 -0.317376D+00 -0.751038D+00
      3   0.866011D+00 -0.142551D+01 -0.263416D+00 -0.751038D+00  0.280748D+00
               226           227           228           229           230 
      1  -0.440157D+00  0.772342D+00  0.126120D+01  0.845181D+00 -0.570001D+00
      2   0.772342D+00 -0.997166D+00 -0.153471D+00 -0.570001D+00  0.490581D+00
      3   0.126120D+01 -0.153471D+00 -0.259343D+01 -0.858621D-01  0.120591D+01
               231           232           233           234           235 
      1  -0.858621D-01  0.266364D+01 -0.376156D+00 -0.819806D+00  0.985340D+01
      2   0.120591D+01 -0.376156D+00  0.115259D+01  0.103968D+01 -0.560325D+00
      3   0.208185D+01 -0.819806D+00  0.103968D+01  0.576121D+01  0.302553D+01
               236           237           238           239           240 
      1  -0.560325D+00  0.302553D+01  0.314467D+00  0.103374D+01  0.182490D+00
      2   0.111729D+01 -0.176034D+00  0.103374D+01 -0.383052D+00  0.398538D+00
      3  -0.176034D+00  0.195309D+01  0.182490D+00  0.398538D+00  0.470529D+00
               241           242           243 
      1   0.206290D+01 -0.355976D-01  0.151977D+01
      2  -0.355976D-01  0.159934D+00  0.187083D+00
      3   0.151977D+01  0.187083D+00  0.128518D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.584169D+01 -0.535026D+01  0.466430D+00 -0.515899D+01  0.976860D+01
      2   0.752645D+01  0.715761D+01  0.104336D+02  0.675695D+01  0.118744D+02
      3  -0.661369D+01 -0.778605D+01 -0.105453D+01 -0.360120D+01  0.512249D+01
                 6             7             8             9            10 
      1  -0.111226D+02 -0.386983D+00 -0.411762D+01 -0.260384D+01  0.693099D+00
      2   0.928811D+00  0.293224D+01  0.193872D+01 -0.885120D+01 -0.197144D+02
      3  -0.528229D+01 -0.442684D+00 -0.492251D+01 -0.172824D+01  0.132820D+02
                11            12            13            14            15 
      1   0.235136D+01  0.163507D+01  0.275629D+01 -0.466468D+01 -0.498172D+01
      2  -0.145145D+01  0.849030D+01 -0.169454D+01 -0.918383D+01 -0.517360D+01
      3   0.421748D+01  0.419500D+01  0.152944D+02  0.349002D+01  0.640488D+01
                16            17            18            19            20 
      1  -0.634148D-01  0.572293D+01  0.355324D+01 -0.257169D+01 -0.103385D+01
      2   0.729205D+01 -0.520233D+01  0.723829D+01  0.249166D+02  0.255921D+01
      3  -0.253847D+00  0.647408D+01  0.377171D+01 -0.169972D+02 -0.666603D+01
                21            22            23            24            25 
      1  -0.949099D+00  0.319970D+00 -0.110757D+01 -0.474273D+01  0.117050D+00
      2   0.103871D+01  0.163942D+01  0.607793D+01  0.602603D+01 -0.151965D+02
      3  -0.504550D-01  0.474645D+01 -0.451555D+01 -0.962825D+00 -0.125994D+01
                26            27            28            29            30 
      1   0.470046D+00  0.417744D+01  0.691672D+01 -0.437661D+00 -0.666008D+00
      2   0.457491D+01  0.287006D+00 -0.282851D+02 -0.547873D+01 -0.135930D+01
      3  -0.225784D+01 -0.296620D+01  0.148011D+02  0.629172D+01  0.644731D+00
                31            32            33            34            35 
      1  -0.527519D+01  0.911117D+00 -0.209940D+01 -0.322168D+01  0.272830D+01
      2  -0.140091D+02 -0.436448D+01 -0.250887D+00 -0.214882D+02 -0.264247D+01
      3   0.320255D+02  0.831515D+01 -0.108263D+01  0.295397D+01  0.104238D+01
                36            37            38            39            40 
      1  -0.395964D+01 -0.712567D+01  0.159536D+01  0.129165D+01  0.593270D+01
      2  -0.806708D-01  0.211482D+02  0.565715D+01  0.484629D+01  0.139131D+02
      3   0.477942D+00 -0.221155D+02 -0.116402D+02  0.120897D+00 -0.119272D+01
                41            42            43            44            45 
      1  -0.618647D-01 -0.991903D+00  0.848945D+01  0.197926D+01  0.804103D+00
      2   0.585830D+01 -0.486520D+01 -0.105238D+02 -0.631896D+01  0.916774D+01
      3  -0.224770D+01 -0.395486D+01 -0.306372D+01 -0.464426D+01  0.377782D+01
                46            47            48            49            50 
      1   0.651025D+01 -0.895118D+01 -0.198520D+01 -0.534956D+01  0.876286D+01
      2  -0.628741D+01 -0.709956D+01 -0.749559D+01 -0.409388D+01 -0.277022D-01
      3   0.147989D+02  0.157681D+02  0.892358D+00  0.238724D+02  0.612178D+01
                51            52            53            54            55 
      1  -0.114739D+02 -0.898064D+00 -0.254878D+00 -0.119815D+02 -0.364852D+01
      2  -0.324614D+01 -0.193168D+02  0.253281D+00 -0.527162D+01  0.499857D+01
      3   0.324705D+01  0.124893D+01 -0.129797D+01 -0.324878D+00 -0.115345D+02
                56            57            58            59            60 
      1   0.240492D+01 -0.489901D+00 -0.185404D+01 -0.335592D+01 -0.135984D+00
      2   0.161505D+01  0.162008D+02  0.485949D+01 -0.248270D+01  0.863451D+01
      3  -0.189681D+02  0.189772D+01 -0.144545D+02 -0.168949D+02  0.400483D+01
                61            62            63            64            65 
      1   0.905369D+00  0.283312D+01  0.381504D+01  0.717089D+01 -0.120187D+01
      2   0.448855D+01  0.349309D+01 -0.128118D+02  0.957600D+01 -0.236751D+01
      3   0.449944D+01  0.925367D+01 -0.490386D+01 -0.762463D+01 -0.203273D+02
                66            67            68            69            70 
      1  -0.521804D+01 -0.830048D+00  0.574205D+01  0.188072D+01 -0.811988D+01
      2  -0.353515D+01 -0.228528D+01  0.528677D+01  0.313608D+01 -0.109962D+02
      3  -0.539447D+01 -0.108675D+02 -0.442701D+01 -0.505493D+01 -0.332163D+01
                71            72            73            74            75 
      1   0.881787D+01 -0.132167D+02 -0.354686D+00 -0.285648D+01  0.329005D+01
      2   0.562032D+01 -0.137700D+02  0.235018D+01  0.130943D+02 -0.587041D+01
      3  -0.449143D+01  0.186259D+00  0.538860D+01 -0.166585D+02 -0.131100D+02
                76            77            78            79            80 
      1  -0.313050D+01 -0.437319D+00 -0.294270D+01  0.542605D+01  0.181421D+01
      2   0.169810D+02  0.389820D+01  0.177743D+01 -0.179101D+02 -0.895021D+00
      3  -0.930604D+01 -0.431056D+01 -0.171115D+01 -0.159485D+02 -0.100607D+01
                81            82            83            84            85 
      1   0.153907D+01  0.306461D+00  0.525824D+01 -0.147575D+01  0.492365D+01
      2  -0.295336D+01 -0.193768D+01 -0.819790D+01  0.792502D+00 -0.118157D+02
      3  -0.568111D+01 -0.837204D+01  0.472576D+01  0.481257D+01  0.147671D+02
                86            87            88            89            90 
      1  -0.478029D+00  0.662004D+01 -0.729587D+00  0.159332D+02  0.130728D+01
      2  -0.423139D+01 -0.515605D+01 -0.302080D+01 -0.587110D+01 -0.304815D+01
      3   0.798478D+01 -0.290411D+01  0.723366D+01 -0.289654D+01  0.849821D+01
                91            92            93            94            95 
      1  -0.254842D+01  0.554530D+01  0.406465D+01 -0.160926D+01  0.744778D+01
      2  -0.259010D+01  0.585336D+00  0.179221D+02 -0.103477D+01 -0.399278D+01
      3   0.681568D+01 -0.104332D+02  0.246037D+01 -0.968314D+00 -0.170616D+02
                96            97            98            99           100 
      1  -0.762130D+01 -0.739767D+00  0.481276D+01 -0.408649D+01 -0.229003D+01
      2  -0.109465D+02  0.929843D+01 -0.727010D+01 -0.577198D+01  0.563920D+01
      3   0.739724D+00  0.229714D+01 -0.367864D+01  0.490142D+01  0.509409D+01
               101           102           103           104           105 
      1   0.147415D+01 -0.195542D+01  0.124696D+01 -0.177013D+01  0.411697D+00
      2  -0.172124D+01  0.814571D+01 -0.350681D+01  0.188647D+01 -0.365136D+01
      3  -0.352111D+01  0.400210D+01 -0.220701D+01  0.497639D+01 -0.327348D+01
               106           107           108           109           110 
      1  -0.346586D+01  0.310852D+01 -0.373622D+01  0.278837D+01  0.447533D+00
      2   0.823321D+01 -0.102320D+01  0.142565D+02 -0.929436D+01 -0.406897D+01
      3   0.647868D+01 -0.588566D+01  0.443883D+01 -0.554681D+00 -0.474520D+01
               111           112           113           114           115 
      1  -0.271734D+01  0.184668D+01  0.911414D+00 -0.222281D+01 -0.322473D+01
      2   0.933522D+01 -0.521868D+01 -0.410499D+01  0.393240D+01  0.102225D+02
      3   0.117361D+01 -0.196080D+01 -0.508664D+01  0.222657D+01  0.229727D+01
               116           117           118           119           120 
      1   0.240286D+00  0.343113D+01 -0.795628D+00  0.192253D+00  0.954862D-01
      2   0.370131D+01 -0.113504D+02  0.272640D+01  0.772443D+00  0.177216D+00
      3   0.555623D+01 -0.356662D+00  0.928904D+00 -0.975469D+00  0.265562D+00
               121           122           123           124           125 
      1  -0.116351D+01 -0.284590D+01  0.962603D+00 -0.862658D+00  0.425008D+01
      2   0.176866D+01  0.639363D+00 -0.239945D+01 -0.363416D+01 -0.160997D+01
      3   0.157713D+01  0.960388D+00 -0.115939D+01 -0.655276D-01 -0.153324D+01
               126           127           128           129           130 
      1  -0.271990D+01  0.232985D+01 -0.210228D+01  0.228361D+01 -0.171073D+01
      2   0.539138D+01 -0.754221D+00  0.750716D+00  0.693354D+00  0.111928D+01
      3   0.203898D+01 -0.342104D+01  0.238387D+01 -0.283596D+01  0.412369D+01
               131           132           133           134           135 
      1   0.743718D+01 -0.725502D+01  0.102674D+01 -0.617243D+01  0.859310D+01
      2  -0.202424D+01  0.235538D+01 -0.738491D+00  0.344232D+01 -0.304408D+01
      3  -0.114521D+02  0.400605D+01 -0.488516D+01  0.647327D+01 -0.527054D+01
               136           137           138           139           140 
      1  -0.126558D+01 -0.601802D+00  0.130900D+00 -0.585575D+00 -0.751674D+00
      2   0.193585D+01 -0.190433D+00 -0.457914D-01  0.257600D+00  0.485248D+01
      3  -0.930057D+00  0.203877D+00  0.144997D+01  0.127481D+01 -0.785617D+01
               141           142           143           144           145 
      1  -0.478608D+01 -0.271214D+00 -0.325973D+01 -0.972157D+01 -0.171346D+01
      2   0.457714D+01 -0.258041D+01  0.707678D+01  0.101299D+02 -0.441866D+01
      3  -0.447004D+01  0.234882D+01 -0.632959D+01 -0.740733D+01 -0.164856D+01
               146           147           148           149           150 
      1   0.284172D+01 -0.395029D+00  0.278042D+01 -0.147874D+02  0.222150D+01
      2   0.244878D+01 -0.162738D+01  0.404994D+01 -0.724353D+01  0.544585D+01
      3   0.971230D+00 -0.428018D+00  0.405611D+01 -0.897601D+01  0.372812D+01
               151           152           153           154           155 
      1  -0.569199D+00  0.484254D+01 -0.315355D+01  0.209195D+01 -0.320621D+01
      2  -0.292075D+01  0.378336D+01 -0.308273D+01  0.512278D+01 -0.141493D+01
      3  -0.851574D+00  0.269077D+01 -0.271866D+01  0.133548D+01 -0.370278D+01
               156           157           158           159           160 
      1  -0.316496D-01 -0.167103D+01  0.115305D+01  0.115625D+01 -0.882014D+00
      2   0.289529D+01 -0.213274D+01 -0.113173D+01 -0.150160D+01 -0.271194D+01
      3  -0.770442D+00 -0.745000D+00  0.157594D+01  0.248386D+01 -0.188011D+00
               161           162           163           164           165 
      1   0.314412D+01  0.427998D+00  0.316921D+01  0.468234D+01  0.117275D+00
      2  -0.352245D+00 -0.178429D+01 -0.146108D+02 -0.646375D+01 -0.672804D+01
      3   0.235220D+01  0.105027D+01  0.661599D+01  0.276274D+01  0.275379D+01
               166           167           168           169           170 
      1   0.309835D+01  0.421794D+01  0.871964D+00  0.563274D+00  0.302871D+01
      2  -0.721074D+01 -0.720359D+01 -0.476573D+01 -0.653606D+01 -0.362545D+01
      3   0.557375D+01  0.374661D+01  0.343507D+01  0.169337D+01  0.134016D+01
               171           172           173           174           175 
      1   0.147414D+01  0.173968D+01 -0.336745D+00  0.274465D+01 -0.890106D+00
      2  -0.536248D+01  0.175951D+01 -0.603808D+00  0.341869D+01 -0.452554D+00
      3   0.287378D+01  0.520869D+00  0.454150D+00 -0.103307D+01  0.133647D+01
               176           177           178           179           180 
      1   0.221017D+01 -0.243629D+01  0.399058D+01 -0.354766D+00  0.168416D+02
      2   0.266410D+01 -0.180533D+01  0.182860D+01 -0.453960D+01  0.179959D+02
      3   0.104379D+01 -0.217327D+01 -0.146661D+01 -0.473663D+01  0.209030D+01
               181           182           183           184           185 
      1  -0.202261D+01 -0.816897D+00 -0.315813D+01 -0.109133D+01 -0.230860D+01
      2  -0.146339D+01 -0.520614D+00 -0.231904D+00 -0.260641D+00 -0.147399D+01
      3   0.151410D+02  0.137449D+02  0.303002D+01  0.108611D+02  0.175070D+02
               186           187           188           189           190 
      1  -0.403562D+01 -0.901712D+00 -0.139993D+01 -0.587914D+00 -0.515922D+01
      2  -0.111650D+01 -0.155212D+01 -0.251142D+01 -0.236544D+00 -0.602245D+01
      3   0.304686D+01  0.294193D+01  0.411207D+01  0.383915D+01 -0.449380D+01
               191           192           193           194           195 
      1   0.171092D+01  0.524504D+01  0.250979D+01 -0.244269D+01 -0.291703D+01
      2   0.283003D+01  0.734075D+01  0.185041D+01 -0.310131D+01 -0.265100D+01
      3  -0.219821D+01  0.222780D+01  0.188197D+01  0.249919D+01  0.100998D+01
               196           197           198           199           200 
      1   0.442007D+01 -0.142459D+01 -0.336749D+01  0.151560D+00  0.315251D+00
      2   0.497639D+01 -0.340105D+01 -0.454929D+01 -0.220187D+00 -0.497904D+00
      3   0.198602D+01  0.343402D+01 -0.557881D+00  0.109377D+01  0.405800D+00
               201           202           203           204           205 
      1   0.251847D+00  0.441228D+01  0.815086D+00 -0.283014D+01  0.252064D+01
      2   0.112718D-01  0.129275D+01  0.128333D+01 -0.936986D+00 -0.249283D+01
      3  -0.777551D+00  0.315448D+01  0.325177D+00 -0.343770D+00 -0.185920D+01
               206           207           208           209           210 
      1   0.121839D+01  0.337637D+01 -0.865216D+00  0.446167D+00  0.295234D-01
      2  -0.110201D+00  0.256648D+01 -0.109423D+01  0.508212D+00 -0.313076D+00
      3  -0.860265D+00  0.646899D+00 -0.198703D+01 -0.334840D+00 -0.185279D-02
               211           212           213           214           215 
      1   0.170630D+01 -0.193163D+01 -0.223255D+00  0.808880D+00  0.361938D+01
      2   0.193062D+00 -0.380289D+01  0.486092D+01 -0.373355D+01  0.422388D+01
      3   0.351416D+01 -0.341217D+01  0.371692D+01  0.525439D+00  0.426804D+01
               216           217           218           219           220 
      1   0.602473D+00 -0.179394D+00 -0.233272D+01  0.585027D-01  0.124913D+00
      2  -0.999320D+01  0.109701D+01  0.217938D+01 -0.237497D+01  0.492477D+00
      3  -0.490354D+01  0.283172D+01  0.460861D+01 -0.100807D+01  0.231608D+01
               221           222           223           224           225 
      1  -0.120998D+02 -0.518023D+00  0.158363D+01 -0.100275D+01 -0.569822D+00
      2   0.382064D+01 -0.349409D+01 -0.830684D+00 -0.252567D+01  0.194785D+01
      3   0.270527D+02 -0.265651D+01 -0.137178D+01  0.151963D+01  0.271421D+01
               226           227           228           229           230 
      1   0.102245D+01 -0.176101D+01 -0.367749D+01  0.183067D+00  0.202769D+01
      2   0.764338D+01 -0.190582D+01 -0.119412D+02 -0.184946D+01  0.574776D+01
      3  -0.175945D+01  0.192286D+01 -0.393281D-01  0.166900D+01 -0.998955D+00
               231           232           233           234           235 
      1   0.372243D+01 -0.214477D+01  0.348479D+01  0.666297D+01  0.149132D+01
      2   0.854668D+01 -0.805276D+01  0.461044D+01  0.226049D+02 -0.210463D+01
      3  -0.439133D+01  0.169009D+00 -0.305472D+01 -0.288972D+01 -0.476541D+01
               236           237           238           239           240 
      1   0.172344D+01  0.101436D+01  0.836012D+00 -0.214327D+00 -0.195251D+00
      2  -0.323006D+00  0.546555D+01  0.390692D+00  0.479441D+00  0.173914D+01
      3  -0.570961D+01 -0.127540D+01 -0.245053D+01  0.688497D+00 -0.985993D+00
               241           242           243 
      1   0.799307D+00  0.114373D+01  0.951410D+00
      2   0.673164D+00  0.100986D+01  0.273265D+01
      3  -0.169551D+01 -0.921144D+00 -0.159717D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.345609D+01  0.124491D+02  0.170839D+02  0.121371D+02  0.146047D+02
      2   0.827467D+01 -0.951638D+01 -0.164630D+02 -0.959214D+01  0.109825D+01
      3  -0.117308D+02 -0.293273D+01 -0.620987D+00 -0.254495D+01 -0.157029D+02
      4   0.132126D+02  0.342670D+01 -0.718109D+01  0.503955D+01 -0.147665D+02
      5   0.256056D+02 -0.130800D+02 -0.258747D+02 -0.140089D+02  0.402241D+01
      6  -0.146392D+02 -0.819759D+01  0.289976D+01 -0.740024D+01  0.105694D+02
                 6             7             8             9            10 
      1   0.106331D+00  0.131753D+02 -0.285024D+00 -0.160814D+02 -0.196670D+02
      2   0.318111D+01 -0.127461D+02  0.210724D+01 -0.167745D+01  0.166411D+02
      3  -0.328744D+01 -0.429153D+00 -0.182221D+01  0.177589D+02  0.302582D+01
      4   0.976570D+01 -0.729145D+01  0.854966D+01  0.663002D+01 -0.346841D+02
      5   0.465544D+01 -0.242666D+02  0.597475D+01 -0.195645D+01 -0.126195D+02
      6  -0.122949D+02  0.339464D+01 -0.106328D+02 -0.116642D+01  0.883175D+01
                11            12            13            14            15 
      1  -0.192956D+02 -0.868142D+01 -0.234916D+02 -0.219677D+02 -0.964048D+01
      2   0.139072D+02  0.537269D+01  0.167293D+02  0.155304D+01  0.567169D+01
      3   0.538845D+01  0.330873D+01  0.676231D+01  0.204147D+02  0.396879D+01
      4  -0.472781D+01  0.315165D+01 -0.542289D+01  0.222361D+01 -0.135566D+02
      5   0.804541D-01  0.111493D+02  0.181839D+01 -0.918944D+01 -0.608885D+01
      6  -0.191881D+01 -0.225557D+01  0.652413D+00  0.667471D+01  0.473526D+01
                16            17            18            19            20 
      1  -0.122802D+01 -0.867702D+01  0.105132D+02  0.594382D+02  0.106779D+02
      2  -0.448261D+01  0.813752D+01  0.119858D+01 -0.503411D+02 -0.106222D+02
      3   0.571063D+01  0.539497D+00 -0.117118D+02 -0.909712D+01 -0.557723D-01
      4   0.809894D+01 -0.165470D+02 -0.119896D+02  0.180386D+02 -0.121179D+02
      5   0.115414D+02 -0.854592D+01  0.142320D+02 -0.192136D+02 -0.738772D+01
      6  -0.587701D+01  0.421465D+01 -0.582145D+01 -0.217249D+02 -0.566219D+01
                21            22            23            24            25 
      1   0.959260D+00  0.992516D+01  0.998351D+01 -0.122537D+01  0.323853D+01
      2  -0.142333D+01 -0.123666D+02 -0.766421D+01 -0.659771D+01  0.854511D+00
      3   0.464073D+00  0.244148D+01 -0.231930D+01  0.782308D+01 -0.409304D+01
      4  -0.705023D+01 -0.268912D+02 -0.656173D+01  0.269203D+01 -0.128471D+02
      5  -0.107703D+01 -0.116879D+02 -0.492113D+01  0.619979D+01 -0.743572D+01
      6  -0.990543D+00 -0.100116D+02 -0.621532D+01 -0.200353D+01 -0.123648D+01
                26            27            28            29            30 
      1  -0.122945D+01  0.571309D+01 -0.129589D+03 -0.137610D+02  0.600517D+01
      2  -0.769384D+01  0.692597D+01  0.830156D+02  0.780814D+01 -0.504374D+01
      3   0.892329D+01 -0.126391D+02  0.465735D+02  0.595285D+01 -0.961430D+00
      4   0.381569D+01  0.877513D+01 -0.213107D+02 -0.100314D+02  0.503471D+00
      5   0.461475D+01 -0.386248D+01  0.358466D+02  0.272368D+01 -0.116311D+02
      6  -0.806451D+00  0.676068D+01  0.248751D+02  0.591821D+01 -0.140938D+00
                31            32            33            34            35 
      1  -0.401852D+02 -0.263555D+02 -0.540497D+01  0.271894D+02 -0.286857D+01
      2   0.276723D+02  0.205823D+02  0.331532D+01 -0.140345D+02  0.539143D+01
      3   0.125128D+02  0.577327D+01  0.208965D+01 -0.131549D+02 -0.252286D+01
      4  -0.154320D+02 -0.120501D+02 -0.395788D+01  0.393502D+01 -0.298032D+01
      5   0.799449D+01  0.161664D+01 -0.208037D+00 -0.978799D+01  0.222942D+01
      6   0.687369D+01  0.107242D+02  0.416681D+01 -0.300915D+00  0.188509D+01
                36            37            38            39            40 
      1  -0.126213D+02  0.183200D+03  0.318737D+02 -0.165352D+02  0.350112D+02
      2   0.263698D+01 -0.106003D+03 -0.183656D+02  0.111558D+02 -0.167781D+02
      3   0.998433D+01 -0.771972D+02 -0.135081D+02  0.537938D+01 -0.182332D+02
      4   0.139106D+01  0.403876D+02  0.193950D+02  0.320299D+00  0.308419D+02
      5  -0.354048D+00 -0.522825D+02 -0.416093D+01  0.134164D+02 -0.146750D+01
      6   0.504734D+01 -0.245646D+02 -0.656640D+01  0.103721D+01 -0.102630D+02
                41            42            43            44            45 
      1   0.993825D+01 -0.943422D+01 -0.636925D+01 -0.820533D+01  0.105542D+02
      2   0.113155D+01 -0.141135D+01  0.105276D+02  0.332318D+01 -0.540462D+01
      3  -0.110698D+02  0.108456D+02 -0.415834D+01  0.488215D+01 -0.514954D+01
      4   0.721990D+01  0.147102D+01  0.982527D+01  0.549921D+01 -0.976098D+01
      5   0.197338D+01 -0.114220D+02  0.177908D+02 -0.843733D+01  0.614622D+01
      6  -0.249833D+00  0.995869D+00  0.907949D+00  0.384330D+00  0.993404D+01
                46            47            48            49            50 
      1  -0.171602D+03 -0.356780D+02  0.312828D+02 -0.542962D+02 -0.210724D+02
      2   0.900369D+02  0.158691D+02 -0.160962D+02  0.275077D+02  0.110560D+02
      3   0.815647D+02  0.198088D+02 -0.151866D+02  0.267885D+02  0.100164D+02
      4  -0.615779D+02 -0.307686D+02  0.998566D+01 -0.203559D+02 -0.115467D+02
      5   0.638079D+02  0.140742D+02 -0.246309D+02  0.275222D+02  0.966340D+00
      6   0.211778D+02  0.293497D+01 -0.554104D+01 -0.304103D+00  0.664816D+01
                51            52            53            54            55 
      1   0.117289D+02  0.302685D+02  0.107420D+02 -0.158496D+02  0.179418D+03
      2  -0.951244D+01 -0.997666D+01  0.583419D+00  0.118081D+02 -0.912477D+02
      3  -0.221644D+01 -0.202918D+02 -0.113254D+02  0.404149D+01 -0.881707D+02
      4  -0.584430D+00  0.199715D+02 -0.608201D+00  0.410103D+01  0.548770D+02
      5   0.272909D+01 -0.184451D+02  0.514336D+01 -0.904043D+01 -0.608378D+02
      6   0.973006D+00  0.452654D+01 -0.204754D+01  0.450125D+01 -0.107878D+02
                56            57            58            59            60 
      1   0.363017D+02 -0.338864D+02  0.668023D+02  0.309253D+02 -0.633429D+01
      2  -0.134880D+02  0.211754D+02 -0.279914D+02 -0.417509D+01  0.175117D+01
      3  -0.228137D+02  0.127110D+02 -0.388109D+02 -0.267502D+02  0.458312D+01
      4   0.376149D+02 -0.103970D+02  0.604127D+02  0.424505D+02 -0.160360D+02
      5  -0.124532D+02  0.361744D+02 -0.215013D+02 -0.177912D+02  0.120223D+02
      6  -0.499248D+01  0.485348D+01 -0.107732D+02 -0.845249D+01  0.898172D+01
                61            62            63            64            65 
      1  -0.741758D+02 -0.113442D+02  0.263246D+02 -0.287454D+01  0.325759D+02
      2   0.441298D+02  0.456123D+01 -0.233247D+02 -0.130654D+02 -0.264976D+02
      3   0.300460D+02  0.678297D+01 -0.299998D+01  0.159400D+02 -0.607836D+01
      4  -0.229829D+02 -0.138262D+02  0.143484D+02  0.314706D+02 -0.127813D+02
      5   0.597399D+02  0.162703D+02 -0.384081D+02  0.145070D+02 -0.511492D+01
      6   0.111307D+02  0.960159D+01 -0.564605D+01 -0.141551D+02  0.277998D+01
                66            67            68            69            70 
      1   0.166213D+02  0.285968D+02  0.799241D+01  0.810266D+00  0.159036D+02
      2  -0.671326D+01 -0.232828D+02  0.771794D+00 -0.803453D+01 -0.201011D+01
      3  -0.990804D+01 -0.531405D+01 -0.876421D+01  0.722427D+01 -0.138935D+02
      4  -0.144029D+02 -0.731228D+01 -0.139250D+02  0.105017D+02 -0.185410D+02
      5  -0.105687D+02 -0.497913D+01  0.104442D+02  0.592180D+01 -0.135107D+02
      6   0.814278D+01  0.381506D+01 -0.104172D+02 -0.481062D+01  0.119010D+02
                71            72            73            74            75 
      1  -0.121054D+01 -0.717633D+01 -0.649234D+01 -0.887860D+01 -0.189517D+01
      2  -0.999672D+01  0.614458D+01  0.394106D+01  0.321499D+01  0.750844D+01
      3   0.112073D+02  0.103176D+01  0.255129D+01  0.566361D+01 -0.561327D+01
      4   0.123042D+02  0.167714D+02 -0.885467D+01  0.529298D+01  0.167744D+02
      5   0.106554D+02 -0.285402D+02  0.627761D+01  0.169961D+02 -0.211417D+02
      6  -0.586331D+01  0.201443D+02  0.302077D+01  0.847656D+01  0.221596D+00
                76            77            78            79            80 
      1  -0.106285D+02  0.213198D+02  0.276618D+02  0.209116D+01  0.283231D+02
      2   0.531636D+01 -0.930656D+01 -0.155026D+02  0.886596D+01 -0.162530D+02
      3   0.531216D+01 -0.120132D+02 -0.121592D+02 -0.109571D+02 -0.120701D+02
      4   0.139210D+02  0.148346D+02  0.120690D+02  0.294713D+02  0.165075D+02
      5   0.274420D+02  0.834132D+01  0.647822D+01 -0.296353D+02  0.444126D+01
      6   0.838355D+01  0.173338D+01 -0.711365D+00 -0.163807D+01 -0.251129D+00
                81            82            83            84            85 
      1  -0.229288D+02 -0.347656D+02  0.344314D+01  0.942215D+01  0.315564D+01
      2   0.161098D+02  0.326401D+02  0.882037D+01 -0.815437D+01  0.945935D+01
      3   0.681900D+01  0.212548D+01 -0.122635D+02 -0.126777D+01 -0.126150D+02
      4   0.246555D+00  0.172253D+02  0.165019D+02  0.446845D+00  0.216426D+02
      5  -0.107753D+02  0.115214D+02  0.291175D+01  0.238390D+01  0.286726D+01
      6   0.476467D+01  0.170965D+02 -0.273113D+00  0.621975D-01  0.205941D+01
                86            87            88            89            90 
      1   0.731212D+01 -0.449291D+01  0.213977D+02 -0.313740D+00  0.213908D+02
      2  -0.129283D+01  0.125009D+02 -0.180685D+02  0.114795D+02 -0.171199D+02
      3  -0.601929D+01 -0.800797D+01 -0.332915D+01 -0.111657D+02 -0.427094D+01
      4   0.335950D+01 -0.447866D+01 -0.144502D+01 -0.796570D+01 -0.136208D+02
      5   0.297790D+01 -0.118764D+02 -0.361464D+00 -0.164241D+02 -0.685222D+01
      6   0.591763D+00 -0.158225D+02 -0.492812D+01 -0.251863D+02 -0.169164D+02
                91            92            93            94            95 
      1  -0.564283D+02  0.374143D+00 -0.320888D+02 -0.960515D+01  0.220381D+02
      2   0.350242D+02 -0.612263D+01  0.794252D+01  0.265160D+01 -0.229715D+02
      3   0.214041D+02  0.574848D+01  0.241463D+02  0.695355D+01  0.933370D+00
      4   0.148020D+01  0.152431D+02  0.717346D+00  0.112195D+02  0.254264D+02
      5  -0.296545D+02 -0.147409D+01  0.947536D+01 -0.681548D+01  0.302597D+01
      6  -0.331022D+00  0.508671D+01 -0.140508D+00  0.393946D+01  0.759726D+01
                96            97            98            99           100 
      1   0.347526D+01 -0.190648D+02  0.517463D+01  0.185050D+02  0.392073D+02
      2   0.787148D+01  0.324923D+01  0.314090D+00 -0.373078D+01 -0.254846D+02
      3  -0.113467D+02  0.158156D+02 -0.548872D+01 -0.147742D+02 -0.137227D+02
      4   0.544095D+00 -0.324026D+01  0.487480D+01 -0.144395D+02  0.184513D+01
      5  -0.142310D+02  0.139816D+02 -0.119151D+02  0.409580D+01  0.267173D+02
      6   0.196417D+01 -0.213715D+01  0.523619D+01 -0.889285D+01  0.101285D+00
               101           102           103           104           105 
      1  -0.162112D+01  0.178234D+02 -0.988137D+01  0.372739D+01 -0.757539D+01
      2   0.165681D+01 -0.136666D+02  0.706149D+01 -0.314951D+01  0.604352D+01
      3  -0.356894D-01 -0.415681D+01  0.281987D+01 -0.577882D+00  0.153188D+01
      4   0.601251D+01 -0.159032D+01  0.800204D+01 -0.664993D+01  0.504275D+01
      5  -0.379261D+01  0.221973D+02 -0.105222D+02  0.683564D+01 -0.850831D+01
      6   0.969106D+00  0.131229D+01  0.205892D+01 -0.167581D+01  0.342019D+01
               106           107           108           109           110 
      1   0.262080D+02 -0.530672D+01  0.177858D+02  0.537628D+02  0.158618D+02
      2  -0.221327D+02  0.492120D+01 -0.211814D+02 -0.247248D+02 -0.495354D+01
      3  -0.407536D+01  0.385522D+00  0.339552D+01 -0.290380D+02 -0.109083D+02
      4  -0.258325D+01  0.719039D+01 -0.228518D+00  0.284747D+02  0.160311D+02
      5   0.341767D+02 -0.310492D+01  0.364729D+02 -0.181077D+02 -0.764784D+01
      6   0.150764D+01  0.375777D+01  0.202490D+01 -0.674889D+01 -0.339570D+01
               111           112           113           114           115 
      1  -0.148061D+02  0.160917D+02  0.725030D+01 -0.680867D+01 -0.280196D+02
      2   0.665095D+01 -0.396359D+01  0.192576D+01  0.222952D+01  0.129153D+02
      3   0.815517D+01 -0.121281D+02 -0.917606D+01  0.457916D+01  0.151043D+02
      4  -0.103370D+02  0.203419D+02  0.169972D+02 -0.940523D+01 -0.192453D+02
      5   0.161894D+02 -0.907859D+01 -0.790339D+01  0.583514D+01  0.251696D+02
      6   0.392786D+01 -0.468031D+01 -0.336299D+01  0.458340D+01  0.763020D+01
               116           117           118           119           120 
      1  -0.103647D+02  0.161628D+02  0.716397D+00 -0.875608D+00  0.198857D+01
      2   0.333645D+01 -0.105513D+02 -0.361262D+01  0.433187D+00 -0.292723D+00
      3   0.702821D+01 -0.561145D+01  0.289623D+01  0.442421D+00 -0.169585D+01
      4  -0.151949D+02  0.110705D+02 -0.199711D+01  0.283570D+01 -0.798859D-01
      5   0.798612D+01 -0.196131D+02  0.158430D+01 -0.960930D+00  0.580911D+01
      6   0.522706D+01 -0.739325D+01 -0.181040D+01  0.666983D-01  0.396940D+00
               121           122           123           124           125 
      1   0.101229D+01 -0.669032D+01  0.663098D+01  0.320020D+00  0.469273D+01
      2  -0.722796D-01  0.162078D+01  0.646545D+00 -0.956782D+00  0.251781D+01
      3  -0.940011D+00  0.506954D+01 -0.727753D+01  0.636762D+00 -0.721054D+01
      4   0.310839D+01 -0.298760D+01  0.276474D+01 -0.159270D+00  0.440284D+01
      5  -0.140990D+01  0.225000D+01 -0.393635D+01  0.522473D+01 -0.292958D+01
      6   0.527737D+00 -0.515315D+01  0.704616D+01 -0.322452D+00  0.586377D+01
               126           127           128           129           130 
      1  -0.191827D+02 -0.147921D+01  0.727680D+01 -0.336073D+01  0.555829D+01
      2  -0.100598D+02  0.351509D+01 -0.101861D+02  0.355403D+01 -0.571190D+01
      3   0.292426D+02 -0.203588D+01  0.290930D+01 -0.193304D+00  0.153609D+00
      4  -0.401778D+01 -0.194685D+01  0.151148D+01 -0.211088D+01  0.356079D+01
      5   0.105909D+02 -0.175720D+01  0.377775D+00 -0.364777D+00  0.547585D+00
      6  -0.586339D+01 -0.444963D+01  0.115976D+01 -0.218219D+01  0.373390D+00
               131           132           133           134           135 
      1  -0.233753D+02  0.658979D+01 -0.671215D+01  0.122290D+02 -0.115169D+02
      2   0.359531D+02 -0.115912D+02  0.451509D+01 -0.203292D+02  0.126793D+02
      3  -0.125778D+02  0.500142D+01  0.219706D+01  0.810016D+01 -0.116245D+01
      4   0.122079D+02 -0.342348D+01 -0.421511D+01 -0.690364D+01  0.474015D+01
      5  -0.551352D+01  0.538781D+01 -0.377622D+00  0.710673D+01 -0.617145D+01
      6  -0.672290D+01  0.952995D+01 -0.613869D+00  0.116906D+02 -0.824239D+01
               136           137           138           139           140 
      1   0.374925D+01  0.453686D+01  0.369994D+01  0.243681D+01 -0.200138D+02
      2  -0.419787D+01 -0.331499D+01 -0.141959D+01 -0.158717D+01  0.190580D+02
      3   0.448618D+00 -0.122187D+01 -0.228035D+01 -0.849639D+00  0.955775D+00
      4   0.490592D+01  0.537707D+01  0.528040D+01  0.624667D+01  0.154219D+02
      5   0.387482D+01  0.387116D+01  0.610960D+01  0.337391D+01  0.106939D+02
      6   0.449210D+01  0.232218D+00  0.277571D+00  0.320872D+01  0.225357D+02
               141           142           143           144           145 
      1  -0.129837D+02 -0.946208D+00 -0.209269D+02 -0.270703D+02 -0.287396D+01
      2   0.888833D+01  0.107181D+01  0.112653D+02  0.542477D+01 -0.518453D+00
      3   0.409539D+01 -0.125605D+00  0.966161D+01  0.216455D+02  0.339241D+01
      4   0.105393D+02  0.923846D+01  0.152446D+02  0.149809D+02  0.130875D+01
      5   0.102760D+02  0.970585D+01  0.170805D+02  0.222745D+02 -0.202361D+01
      6   0.208376D+02  0.660971D+01  0.299397D+02  0.346595D+02 -0.223981D+01
               146           147           148           149           150 
      1   0.298172D+01 -0.557754D+01  0.342655D+01 -0.132125D+02  0.967535D+01
      2  -0.420875D+00  0.148464D+01 -0.151207D+01  0.535399D+01  0.337940D+01
      3  -0.256085D+01  0.409291D+01 -0.191448D+01  0.785847D+01 -0.130548D+02
      4  -0.601366D-01  0.765011D+00  0.259272D+00  0.183946D+02 -0.776679D+01
      5  -0.110726D+01  0.388287D+01 -0.348206D+01 -0.499410D+01  0.796597D+01
      6   0.415518D+01 -0.219725D+01  0.308094D+01 -0.223040D+02  0.128174D+02
               151           152           153           154           155 
      1  -0.307608D+01  0.680658D+01 -0.705372D+01  0.244315D+02 -0.430418D+01
      2   0.136450D+01  0.145922D+01 -0.267176D+01 -0.227083D+02  0.330588D+01
      3   0.171158D+01 -0.826580D+01  0.972548D+01 -0.172323D+01  0.998298D+00
      4   0.433350D+00 -0.504551D+01  0.490375D+01 -0.122563D+02  0.917447D+01
      5   0.415079D+01  0.347789D+01 -0.399502D+01 -0.391286D+02  0.951053D+01
      6  -0.165391D+01  0.108124D+02 -0.815270D+01  0.848165D+01 -0.619354D+01
               156           157           158           159           160 
      1  -0.858326D+01 -0.468626D+01  0.408638D+00 -0.756986D+00 -0.646858D+01
      2   0.180874D+02  0.362508D+01 -0.199515D+01 -0.310296D+01  0.146067D+02
      3  -0.950416D+01  0.106118D+01  0.158651D+01  0.385995D+01 -0.813815D+01
      4   0.749810D+01  0.893678D+01 -0.567174D+01 -0.781453D+01  0.551268D+01
      5   0.336536D+02  0.998855D+01 -0.896274D+01 -0.910040D+01  0.265372D+02
      6  -0.651345D+01 -0.592220D+01  0.461126D+01  0.856276D+01 -0.516639D+01
               161           162           163           164           165 
      1  -0.436669D+00  0.173727D+01 -0.117094D+02 -0.973016D+01 -0.136960D+02
      2  -0.232401D+01 -0.160330D+02  0.249234D+01  0.519895D+01  0.536205D+00
      3   0.276068D+01  0.142957D+02  0.921704D+01  0.453121D+01  0.131598D+02
      4  -0.473061D+01 -0.673709D+01  0.154480D+00 -0.117833D+01  0.194482D+00
      5  -0.674677D+01 -0.281433D+02  0.767578D+01  0.474833D+01  0.388346D+01
      6   0.625724D+01  0.724910D+01  0.864254D+01  0.927290D+01  0.656770D+01
               166           167           168           169           170 
      1  -0.857761D+01 -0.137366D+02 -0.993159D+01 -0.745377D+01 -0.585856D+01
      2   0.504895D+01  0.801334D+01  0.342108D+00  0.477869D+00 -0.233968D+00
      3   0.352866D+01  0.572325D+01  0.958948D+01  0.697591D+01  0.609253D+01
      4   0.786535D-01 -0.204930D+01 -0.330896D+01  0.514292D+00 -0.172567D+01
      5   0.654670D+01  0.137672D+01 -0.196157D+01  0.600487D+01 -0.118915D+00
      6   0.689936D+01  0.106779D+02  0.105178D+02  0.381321D+01  0.730929D+01
               171           172           173           174           175 
      1  -0.980665D+01  0.497015D+01 -0.494074D+01  0.412121D+01 -0.119436D+01
      2  -0.157384D+01 -0.188684D+01  0.259423D+01 -0.304918D+01  0.407625D+00
      3   0.113805D+02 -0.308331D+01  0.234651D+01 -0.107203D+01  0.786738D+00
      4  -0.169512D+01 -0.854193D+01  0.577533D+01 -0.446625D+01  0.387404D+01
      5   0.699636D+00  0.697758D+01 -0.253049D+01  0.105342D+02 -0.146006D+01
      6   0.713223D+01 -0.355034D+01  0.179345D+01 -0.498353D+01  0.224447D+01
               176           177           178           179           180 
      1  -0.344815D+01  0.324310D+01  0.436387D+01  0.463874D+01 -0.541861D+01
      2   0.267165D+01 -0.434417D+01 -0.356580D+01 -0.613920D+01 -0.755426D+01
      3   0.776500D+00  0.110107D+01 -0.798065D+00  0.150045D+01  0.129729D+02
      4  -0.254161D+01  0.630313D+01 -0.850101D+01  0.120960D+02 -0.141545D+02
      5   0.589599D+01 -0.417124D+01  0.153861D+02 -0.110656D+02  0.385035D+02
      6  -0.542970D+01  0.861789D+01 -0.899881D+01  0.131089D+02 -0.301347D+02
               181           182           183           184           185 
      1  -0.146506D+02 -0.238034D+02 -0.544112D+01 -0.150195D+02 -0.273758D+02
      2   0.152761D+02  0.278350D+02  0.395793D+01  0.155458D+02  0.366944D+02
      3  -0.625522D+00 -0.403168D+01  0.148319D+01 -0.526356D+00 -0.931860D+01
      4   0.534563D+01 -0.559718D+00  0.274105D+01  0.497339D+01 -0.681720D+01
      5  -0.335189D+01 -0.540036D+00 -0.110592D+01 -0.687666D+00 -0.322730D+01
      6   0.325257D+01  0.127779D+01  0.498956D+01  0.924796D+00  0.355095D+01
               186           187           188           189           190 
      1  -0.420681D+01 -0.560989D+01 -0.539243D+01 -0.600716D+01  0.438045D+02
      2   0.555995D+01  0.299544D+01  0.802098D+01  0.520777D+01 -0.114419D+02
      3  -0.135315D+01  0.261446D+01 -0.262855D+01  0.799384D+00 -0.323626D+02
      4  -0.153540D+01  0.380968D+01 -0.405318D+01 -0.210415D+01 -0.464119D+02
      5  -0.297370D+01  0.962564D+00 -0.357947D+01  0.872073D+00 -0.146274D+02
      6   0.615070D+01  0.209717D+01  0.739424D+01  0.168216D+01  0.933516D+01
               191           192           193           194           195 
      1  -0.160348D+02 -0.120706D+02 -0.115291D+02  0.479288D+01  0.117372D+01
      2  -0.131707D+01  0.444247D+01 -0.170193D+01  0.754100D+01  0.333521D+01
      3   0.173518D+02  0.762814D+01  0.132310D+02 -0.123339D+02 -0.450894D+01
      4   0.304779D+02  0.127486D+02  0.233531D+02 -0.202905D+02 -0.857229D+01
      5   0.593066D+01  0.129996D+02  0.523189D+01 -0.617305D+01 -0.432564D+01
      6  -0.497610D+01 -0.867135D+01 -0.406009D+01  0.573888D+01  0.500545D+01
               196           197           198           199           200 
      1  -0.150356D+02  0.267397D+01  0.742259D+01 -0.157911D+01 -0.171489D+01
      2   0.402646D+01  0.507968D+01 -0.323849D+01  0.185816D+01  0.145340D+01
      3   0.110091D+02 -0.775365D+01 -0.418409D+01 -0.279054D+00  0.261494D+00
      4   0.193303D+02 -0.157997D+02 -0.134648D+02 -0.155348D+01  0.181391D+01
      5   0.149802D+02 -0.839094D+01 -0.995649D+01  0.245210D+01 -0.147849D+01
      6  -0.102755D+02  0.745199D+01  0.673358D+01 -0.240671D+00  0.395011D+00
               201           202           203           204           205 
      1   0.150401D+01 -0.207314D+01 -0.320866D+01  0.559060D+01  0.278090D+01
      2  -0.108908D+01 -0.156257D+01  0.348797D+01 -0.323810D+01 -0.264990D+01
      3  -0.414932D+00  0.363571D+01 -0.279315D+00 -0.235249D+01 -0.130999D+00
      4  -0.217448D+01  0.150381D+01 -0.200507D+01  0.318614D+01 -0.260846D+01
      5   0.391802D+01 -0.133622D+01  0.147248D+01 -0.272930D+01  0.364666D+01
      6  -0.444344D+00  0.226379D+00 -0.456157D+01  0.400471D+01 -0.461369D+00
               206           207           208           209           210 
      1   0.589822D+01 -0.681352D+01 -0.141223D+00  0.238742D+01 -0.381078D+01
      2  -0.484580D+01  0.116869D+01 -0.137105D+01 -0.115633D+01  0.926975D+00
      3  -0.105242D+01  0.564483D+01  0.151227D+01 -0.123109D+01  0.288381D+01
      4   0.380890D+01 -0.451577D+01  0.206205D+01  0.226813D+01 -0.201300D+01
      5  -0.369699D+01  0.559227D+01 -0.300233D+01 -0.224176D+01  0.450656D+01
      6   0.422747D+01 -0.668386D+01 -0.270062D+01  0.368473D+00  0.640418D-02
               211           212           213           214           215 
      1   0.272964D+01 -0.921356D+01  0.975319D+01 -0.278947D+01  0.945946D+01
      2  -0.356173D+01  0.401635D+01 -0.102841D+01  0.149230D+01 -0.233487D+01
      3   0.832091D+00  0.519721D+01 -0.872478D+01  0.129717D+01 -0.712460D+01
      4   0.504087D+00  0.539357D+01 -0.532701D+01 -0.269820D+01 -0.537234D+01
      5  -0.363633D+01 -0.643242D+01  0.936146D+01  0.331126D+01  0.760414D+01
      6  -0.108717D+00 -0.792603D+01  0.812259D+01  0.164737D+01  0.873886D+01
               216           217           218           219           220 
      1  -0.208910D+02  0.344362D+01 -0.960275D+01  0.470542D+01 -0.103762D+02
      2  -0.319574D+01  0.581047D+00  0.782034D+01 -0.827259D+00  0.489359D+01
      3   0.240868D+02 -0.402466D+01  0.178241D+01 -0.387816D+01  0.548261D+01
      4   0.652667D+01 -0.403281D+01 -0.287100D+01  0.104396D+01  0.707280D+01
      5  -0.180810D+02  0.104486D+01 -0.662599D+00 -0.349553D+01 -0.604401D+01
      6  -0.110176D+02 -0.164915D+01 -0.286567D+01  0.152704D+01  0.147393D+01
               221           222           223           224           225 
      1  -0.215191D+02  0.137211D+01  0.279236D+01  0.100840D+01 -0.663127D+01
      2   0.337874D+02 -0.584397D+00 -0.100901D+01  0.225772D+01  0.357962D+01
      3  -0.122682D+02 -0.787712D+00 -0.178335D+01 -0.326612D+01  0.305165D+01
      4  -0.468369D+02  0.590769D+01  0.176104D+01 -0.232756D+01 -0.397871D+01
      5   0.344741D+01 -0.910295D+01 -0.527410D+00 -0.417800D+01  0.673789D+00
      6  -0.160597D+02  0.725505D+01 -0.734036D-02  0.523935D+01 -0.100346D+01
               226           227           228           229           230 
      1  -0.537869D+01  0.415251D+01  0.173944D+02  0.548192D+01 -0.986985D+01
      2  -0.206625D+01 -0.263847D+00  0.126753D-01 -0.212171D+01  0.367658D+01
      3   0.744494D+01 -0.388866D+01 -0.174071D+02 -0.336022D+01  0.619327D+01
      4   0.421810D+01 -0.537168D+01 -0.103775D+01 -0.221517D+01  0.219203D+01
      5   0.186612D+01  0.982438D+00 -0.833282D+01  0.262582D+01  0.473881D+01
      6   0.159722D+01 -0.349842D+01 -0.417846D+00 -0.181117D+01  0.324877D+01
               231           232           233           234           235 
      1  -0.669473D+01  0.170882D+02 -0.542067D+01 -0.256276D+02  0.843334D+02
      2  -0.383882D+01 -0.522548D+01 -0.163493D+01 -0.971195D+01 -0.469773D+02
      3   0.105336D+02 -0.118627D+02  0.705559D+01  0.353395D+02 -0.373561D+02
      4   0.642922D+01 -0.352238D+01  0.686392D+01  0.658692D+01 -0.134893D+02
      5   0.107518D+02  0.143982D+01  0.443811D+01  0.270899D+02  0.421343D+02
      6   0.655349D+01 -0.119809D+01  0.520811D+01  0.237102D+01 -0.131229D+01
               236           237           238           239           240 
      1  -0.351913D+01  0.215371D+02  0.361224D+01  0.716382D+01  0.550838D+00
      2   0.740949D+00 -0.154277D+02 -0.298031D+01 -0.223434D+01 -0.167364D+01
      3   0.277818D+01 -0.610948D+01 -0.631929D+00 -0.492948D+01  0.112280D+01
      4   0.121189D+02 -0.363852D+01  0.112621D+02 -0.307226D+01  0.383739D+01
      5  -0.188226D+01  0.233053D+02  0.215841D+01  0.502914D+01  0.305080D+01
      6   0.365301D+01 -0.174383D+01  0.387894D+01 -0.679834D+00  0.216601D+01
               241           242           243 
      1   0.132739D+02 -0.934272D+00  0.103240D+02
      2  -0.110921D+02 -0.984115D-01 -0.100985D+02
      3  -0.218178D+01  0.103268D+01 -0.225441D+00
      4  -0.202108D+01  0.192288D+01 -0.365181D+00
      5   0.191235D+02  0.460569D+00  0.137928D+02
      6  -0.200102D+01  0.164198D+01 -0.378230D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163817D+01      0.416382D+01      0.138890D+02
   x         -0.142079D+01     -0.361129D+01     -0.120460D+02
   y         -0.559810D+00     -0.142290D+01     -0.474627D+01
   z          0.592931D+00      0.150708D+01      0.502708D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124675D+03      0.184750D+02      0.205562D+02
   aniso      0.564984D+02      0.837220D+01      0.931533D+01
   xx         0.160911D+03      0.238446D+02      0.265307D+02
   yx         0.713297D+01      0.105700D+01      0.117607D+01
   yy         0.105896D+03      0.156922D+02      0.174600D+02
   zx        -0.302959D+01     -0.448939D+00     -0.499512D+00
   zy        -0.433052D+01     -0.641716D+00     -0.714006D+00
   zz         0.107218D+03      0.158881D+02      0.176779D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130098D+03      0.192785D+02      0.214502D+02
   aniso      0.604543D+02      0.895840D+01      0.996757D+01
   xx         0.168526D+03      0.249729D+02      0.277861D+02
   yx         0.834970D+01      0.123730D+01      0.137668D+01
   yy         0.110403D+03      0.163600D+02      0.182030D+02
   zx        -0.471336D+01     -0.698448D+00     -0.777129D+00
   zy        -0.430806D+01     -0.638388D+00     -0.710303D+00
   zz         0.111365D+03      0.165026D+02      0.183616D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.18569029          2.26617479          3.86341438
     6         -1.52478087          1.59859844          3.15051310
     6         -1.70558151         -0.57666835          1.11415937
     6          0.38071603         -0.92563591         -0.71285071
     6          0.14955821         -0.75020823         -3.22088673
     6          2.22498990         -1.06106902         -5.05935212
     8          1.80303493         -0.84461916         -7.30959806
     6         -3.02243252          3.96209596          2.51982184
     6         -2.72578551         -0.26616487          5.07796658
     6         -2.01488489         -2.48410643          3.32041013
     6          4.86277604         -1.64476468         -4.11112344
     1         -4.76685194         -0.01211955          5.21203914
     1         -1.93490783         -0.26780779          6.98037607
     1         -3.49093476         -0.37252728          0.10074277
     1         -0.21510625         -3.34407215          3.83834488
     1         -3.39927397         -3.98214511          3.04978770
     1          2.29468081          0.59672405          4.35131083
     1          1.19161723          3.51705057          5.50527855
     1          2.14671852          3.24160540          2.31904974
     1         -4.97617711          3.50182413          2.04331605
     1         -2.18976920          4.95447003          0.91073270
     1         -3.04816671          5.26681751          4.12150466
     1          2.22352179         -1.33801290          0.08955930
     1         -1.67030631         -0.34625291         -4.07562234
     1          4.88478415         -3.40901752         -3.04108840
     1          5.53920061         -0.15172936         -2.85746655
     1          6.12509274         -1.80735402         -5.72352153

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163817D+01      0.416382D+01      0.138890D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163817D+01      0.416382D+01      0.138890D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124675D+03      0.184750D+02      0.205562D+02
   aniso      0.564984D+02      0.837220D+01      0.931533D+01
   xx         0.115809D+03      0.171612D+02      0.190944D+02
   yx        -0.471416D+01     -0.698566D+00     -0.777259D+00
   yy         0.103563D+03      0.153464D+02      0.170752D+02
   zx        -0.172788D+02     -0.256045D+01     -0.284888D+01
   zy         0.563065D+01      0.834377D+00      0.928369D+00
   zz         0.154654D+03      0.229174D+02      0.254990D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130098D+03      0.192785D+02      0.214502D+02
   aniso      0.604543D+02      0.895840D+01      0.996757D+01
   xx         0.119115D+03      0.176510D+02      0.196394D+02
   yx        -0.449160D+01     -0.665586D+00     -0.740565D+00
   yy         0.107955D+03      0.159972D+02      0.177993D+02
   zx        -0.175696D+02     -0.260355D+01     -0.289684D+01
   zy         0.593492D+01      0.879464D+00      0.978536D+00
   zz         0.163224D+03      0.241873D+02      0.269120D+02

 ----------------------------------------------------------------------
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 Happiness is a conscious choice, not an automatic response.
 -- Mildred Barthel
 Job cpu time:       0 days  4 hours 24 minutes 60.0 seconds.
 Elapsed time:       0 days  0 hours 33 minutes 13.1 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Sun Sep 26 20:20:48 2021.
